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C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Identifying a knowledge gap in the field of study
Some studies have shown the beneficial effects of X, but others have shown a deterioration in …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Identifying a knowledge gap in the field of study". Example Sentence: "Some studies have shown the beneficial effects of X, but others have shown a deterioration in …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Identifying a knowledge gap in the field of study
Much less is known about X.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Identifying a knowledge gap in the field of study". Example Sentence: "Much less is known about X.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Identifying a knowledge gap in the field of study
It is still not known whether …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Identifying a knowledge gap in the field of study". Example Sentence: "It is still not known whether …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Identifying a knowledge gap in the field of study
The nature of X remains unclear.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Identifying a knowledge gap in the field of study". Example Sentence: "The nature of X remains unclear.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the focus, aim, or argument of a short paper
It is now well established that … However, the influence of X on Y has remained unclear.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the focus, aim, or argument of a short paper". Example Sentence: "It is now well established that … However, the influence of X on Y has remained unclear.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the focus, aim, or argument of a short paper
In this paper, I argue that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the focus, aim, or argument of a short paper". Example Sentence: "In this paper, I argue that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the focus, aim, or argument of a short paper
This paper has four key aims. Firstly, …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the focus, aim, or argument of a short paper". Example Sentence: "This paper has four key aims. Firstly, …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the focus, aim, or argument of a short paper
The central thesis of this paper is that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the focus, aim, or argument of a short paper". Example Sentence: "The central thesis of this paper is that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the aims of the current research (note frequent use of past tense)
In the pages that follow, the following questions will be addressed
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the aims of the current research (note frequent use of past tense)". Example Sentence: "In the pages that follow, the following questions will be addressed". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the aims of the current research (note frequent use of past tense)
The specific objective of this study was to …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the aims of the current research (note frequent use of past tense)". Example Sentence: "The specific objective of this study was to …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the aims of the current research (note frequent use of past tense)
An objective of this study was to investigate ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the aims of the current research (note frequent use of past tense)". Example Sentence: "An objective of this study was to investigate ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the aims of the current research (note frequent use of past tense)
This study set out to investigate the usefulness of ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the aims of the current research (note frequent use of past tense)". Example Sentence: "This study set out to investigate the usefulness of ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating purpose of the current research with reference to gaps or issues in the literature
The current study aimed to address these discrepancies and investigate the …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating purpose of the current research with reference to gaps or issues in the literature". Example Sentence: "The current study aimed to address these discrepancies and investigate the …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating purpose of the current research with reference to gaps or issues in the literature
Our study aimed to address these concerns through the development of …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating purpose of the current research with reference to gaps or issues in the literature". Example Sentence: "Our study aimed to address these concerns through the development of …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating purpose of the current research with reference to gaps or issues in the literature
Our investigations aimed to target this uncertainty by reviewing the scientific and technical data …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating purpose of the current research with reference to gaps or issues in the literature". Example Sentence: "Our investigations aimed to target this uncertainty by reviewing the scientific and technical data …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating purpose of the current research with reference to gaps or issues in the literature
The aim of our work was to fill these gaps in the existing literature by …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating purpose of the current research with reference to gaps or issues in the literature". Example Sentence: "The aim of our work was to fill these gaps in the existing literature by … ". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the purpose of the thesis, dissertation, or research article (note use of present tense)
This thesis examines the way in which the ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the purpose of the thesis, dissertation, or research article (note use of present tense)". Example Sentence: "This thesis examines the way in which the ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the purpose of the thesis, dissertation, or research article (note use of present tense)
This dissertation seeks to explain the development of ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the purpose of the thesis, dissertation, or research article (note use of present tense)". Example Sentence: "This dissertation seeks to explain the development of ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the purpose of the thesis, dissertation, or research article (note use of present tense)
This case study seeks to examine the changing nature of ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the purpose of the thesis, dissertation, or research article (note use of present tense)". Example Sentence: "This case study seeks to examine the changing nature of ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating the purpose of the thesis, dissertation, or research article (note use of present tense)
The overall aim of this thesis is to review the evidence for …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating the purpose of the thesis, dissertation, or research article (note use of present tense)". Example Sentence: "The overall aim of this thesis is to review the evidence for …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Setting out the research questions or hypotheses
Drawing upon two strands of research into X, this paper attempts to ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Setting out the research questions or hypotheses". Example Sentence: "Drawing upon two strands of research into X, this paper attempts to ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Setting out the research questions or hypotheses
The hypothesis that will be tested is that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Setting out the research questions or hypotheses". Example Sentence: "The hypothesis that will be tested is that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Setting out the research questions or hypotheses
The research questions in this study focused on …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Setting out the research questions or hypotheses". Example Sentence: "The research questions in this study focused on …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Setting out the research questions or hypotheses
The central question in this dissertation asks how ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Setting out the research questions or hypotheses". Example Sentence: "The central question in this dissertation asks how ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Describing the research design and the methods used
In particular, this dissertation will examine six main research questions: …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Describing the research design and the methods used". Example Sentence: "In particular, this dissertation will examine six main research questions: …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Describing the research design and the methods used
Data for this study were collected using...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Describing the research design and the methods used". Example Sentence: "Data for this study were collected using...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Describing the research design and the methods used
Five works will be examined, all of which …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Describing the research design and the methods used". Example Sentence: "Five works will be examined, all of which …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Describing the research design and the methods used
A mixed-method approach was employed using …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Describing the research design and the methods used". Example Sentence: "A mixed-method approach was employed using …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Explaining the significance of the current study
A combination of quantitative and qualitative approaches was used in the data analysis.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining the significance of the current study". Example Sentence: "A combination of quantitative and qualitative approaches was used in the data analysis.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Explaining the significance of the current study
This is the first study to …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining the significance of the current study". Example Sentence: "This is the first study to …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Explaining the significance of the current study
This work will generate fresh insights into …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining the significance of the current study". Example Sentence: "This work will generate fresh insights into …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Explaining the significance of the current study
Understanding the link between X and Y will help …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining the significance of the current study". Example Sentence: "Understanding the link between X and Y will help …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Giving reasons for personal interest in the research (sometimes found in the humanities, and the applied human sciences)
The experimental work presented here provides one of the first investigations into how …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Giving reasons for personal interest in the research (sometimes found in the humanities, and the applied human sciences)". Example Sentence: "The experimental work presented here provides one of the first investigations into how …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Giving reasons for personal interest in the research (sometimes found in the humanities, and the applied human sciences)
I became interested in Xs after reading ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Giving reasons for personal interest in the research (sometimes found in the humanities, and the applied human sciences)". Example Sentence: "I became interested in Xs after reading ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Giving reasons for personal interest in the research (sometimes found in the humanities, and the applied human sciences)
I have worked closely with X for many years and ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Giving reasons for personal interest in the research (sometimes found in the humanities, and the applied human sciences)". Example Sentence: "I have worked closely with X for many years and ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Giving reasons for personal interest in the research (sometimes found in the humanities, and the applied human sciences)
This research complements an earlier study which …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Giving reasons for personal interest in the research (sometimes found in the humanities, and the applied human sciences)". Example Sentence: "This research complements an earlier study which …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Explaining keywords (also refer to Defining Terms)
This project was conceived during my time working for X. As a medical advisor, I witnessed …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining keywords (also refer to Defining Terms)". Example Sentence: "This project was conceived during my time working for X. As a medical advisor, I witnessed …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Explaining keywords (also refer to Defining Terms)
Throughout this paper, the term ‘X’ will refer to ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining keywords (also refer to Defining Terms)". Example Sentence: "Throughout this paper, the term ‘X’ will refer to ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Explaining keywords (also refer to Defining Terms)
The term ‘X’ will be used in this thesis to refer to …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining keywords (also refer to Defining Terms)". Example Sentence: "The term ‘X’ will be used in this thesis to refer to …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Explaining keywords (also refer to Defining Terms)
Historically, the term ‘X’ has been used to describe …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining keywords (also refer to Defining Terms)". Example Sentence: "Historically, the term ‘X’ has been used to describe …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Describing the limitations of the current study
While a variety of definitions of the term ‘X’ have been suggested, this paper will use the definition first suggested by Smith (1968) who saw it as …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Describing the limitations of the current study". Example Sentence: "While a variety of definitions of the term ‘X’ have been suggested, this paper will use the definition first suggested by Smith (1968) who saw it as …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Describing the limitations of the current study
The thesis does not engage with ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Describing the limitations of the current study". Example Sentence: "The thesis does not engage with ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Describing the limitations of the current study
It is not the task of this paper to examine …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Describing the limitations of the current study". Example Sentence: "It is not the task of this paper to examine …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Describing the limitations of the current study
This study is unable to encompass the entire …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Describing the limitations of the current study". Example Sentence: "This study is unable to encompass the entire …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Outlining the structure of a short paper
Due to practical constraints, this paper cannot provide a comprehensive review of...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Outlining the structure of a short paper". Example Sentence: "Due to practical constraints, this paper cannot provide a comprehensive review of...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Outlining the structure of a short paper
The first section of this paper will examine ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Outlining the structure of a short paper". Example Sentence: "The first section of this paper will examine ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Outlining the structure of a short paper
This paper begins by ... It will then go on to ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Outlining the structure of a short paper". Example Sentence: "This paper begins by ... It will then go on to ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Outlining the structure of a short paper
The essay has been organised in the following way: ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Outlining the structure of a short paper". Example Sentence: "The essay has been organised in the following way: ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Outlining the structure of a thesis or dissertation
This paper has been divided into four parts. The first part deals with ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Outlining the structure of a thesis or dissertation". Example Sentence: "This paper has been divided into four parts. The first part deals with ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Outlining the structure of a thesis or dissertation
This thesis is composed of four themed chapters.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Outlining the structure of a thesis or dissertation". Example Sentence: "This thesis is composed of four themed chapters.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Outlining the structure of a thesis or dissertation
The overall structure of the study takes the form of six chapters.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Outlining the structure of a thesis or dissertation". Example Sentence: "The overall structure of the study takes the form of six chapters.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Outlining the structure of a thesis or dissertation
The thesis is divided into three distinct sections. The first section …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Outlining the structure of a thesis or dissertation". Example Sentence: "The thesis is divided into three distinct sections. The first section …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previewing a chapter
Chapter Two begins by laying out the theoretical dimensions of the research, and looks at how ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previewing a chapter". Example Sentence: "Chapter Two begins by laying out the theoretical dimensions of the research, and looks at how ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previewing a chapter
The aim of the chapter is to introduce …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previewing a chapter". Example Sentence: "The aim of the chapter is to introduce …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previewing a chapter
This chapter seeks to assess the impact of …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previewing a chapter". Example Sentence: "This chapter seeks to assess the impact of …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previewing a chapter
This chapter is subdivided into three sections.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previewing a chapter". Example Sentence: "This chapter is subdivided into three sections.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
General comments on the relevant literature
The next chapter discusses the specific methods by which the research and analyses were conducted.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "General comments on the relevant literature". Example Sentence: "The next chapter discusses the specific methods by which the research and analyses were conducted.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
General comments on the relevant literature
The literature on X has highlighted several …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "General comments on the relevant literature". Example Sentence: "The literature on X has highlighted several …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
General comments on the relevant literature
Much of the literature concerns X rather than Y.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "General comments on the relevant literature". Example Sentence: "Much of the literature concerns X rather than Y.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
General comments on the relevant literature
Different theories exist in the literature regarding …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "General comments on the relevant literature". Example Sentence: "Different theories exist in the literature regarding …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: A historic perspective
The academic literature on X has revealed the emergence of several contrasting themes.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: A historic perspective". Example Sentence: "The academic literature on X has revealed the emergence of several contrasting themes.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: A historic perspective
Research into X has a long history.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: A historic perspective". Example Sentence: "Research into X has a long history.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: A historic perspective
Over the past two decades, major advances in X have allowed …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: A historic perspective". Example Sentence: "Over the past two decades, major advances in X have allowed …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: A historic perspective
For many years, this phenomenon was surprisingly neglected by …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: A historic perspective". Example Sentence: "For many years, this phenomenon was surprisingly neglected by …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: area investigated as the sentence object
Around the early 1960s, small-scale research and case studies began to emerge linking the use of …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: area investigated as the sentence object". Example Sentence: "Around the early 1960s, small-scale research and case studies began to emerge linking the use of …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: area investigated as the sentence object
To date, several studies have investigated …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: area investigated as the sentence object". Example Sentence: "To date, several studies have investigated …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: area investigated as the sentence object
A number of studies have begun to examine …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: area investigated as the sentence object". Example Sentence: "A number of studies have begun to examine …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: area investigated as the sentence object
Various studies have assessed the efficacy of …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: area investigated as the sentence object". Example Sentence: "Various studies have assessed the efficacy of …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: area investigated as the sentence subject
Numerous studies have attempted to explain … (for example, Smith, 1996; Jones, 1998; …).
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: area investigated as the sentence subject". Example Sentence: "Numerous studies have attempted to explain … (for example, Smith, 1996; Jones, 1998; …).". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: area investigated as the sentence subject
X has been proposed to explain how …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: area investigated as the sentence subject". Example Sentence: "X has been proposed to explain how …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: area investigated as the sentence subject
The X problem has been extensively studied.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: area investigated as the sentence subject". Example Sentence: "The X problem has been extensively studied.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: area investigated as the sentence subject
Xs have been studied extensively in vitro, using …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: area investigated as the sentence subject". Example Sentence: "Xs have been studied extensively in vitro, using …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: Approaches taken
The relationship between X and Y has been widely investigated (Smith, 1985; Jones, 1987, ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: Approaches taken". Example Sentence: "The relationship between X and Y has been widely investigated (Smith, 1985; Jones, 1987, ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: Approaches taken
Most research on X has been carried out in …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: Approaches taken". Example Sentence: "Most research on X has been carried out in …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: Approaches taken
Two different approaches have been used to …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: Approaches taken". Example Sentence: "Two different approaches have been used to …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: Approaches taken
Most researchers investigating X have utilised …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: Approaches taken". Example Sentence: "Most researchers investigating X have utilised …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: What has been established or proposed
Publications that concentrate on X more frequently adopt a historical or chronological approach …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: What has been established or proposed". Example Sentence: "Publications that concentrate on X more frequently adopt a historical or chronological approach …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: What has been established or proposed
Several lines of evidence suggest that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: What has been established or proposed". Example Sentence: "Several lines of evidence suggest that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: What has been established or proposed
Previous research has established that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: What has been established or proposed". Example Sentence: "Previous research has established that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: What has been established or proposed
Data from several studies suggest that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: What has been established or proposed". Example Sentence: "Data from several studies suggest that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating what is currently known about the topic
There is a large number of published studies (e.g., Smith, 2015; …) that describe the link between …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating what is currently known about the topic". Example Sentence: "There is a large number of published studies (e.g., Smith, 2015; …) that describe the link between …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating what is currently known about the topic
X increases when … (Smith, 2015)
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating what is currently known about the topic". Example Sentence: "X increases when … (Smith, 2015)". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating what is currently known about the topic
X is able to affect Y (Smith, 2015; Jones, 2020).
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating what is currently known about the topic". Example Sentence: "X is able to affect Y (Smith, 2015; Jones, 2020).". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Stating what is currently known about the topic
X is positively related to Y (Smith, 2015; Jones, 2020).
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating what is currently known about the topic". Example Sentence: "X is positively related to Y (Smith, 2015; Jones, 2020).". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: highlighting negative outcomes
Previous studies have failed to show any significant differences in …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: highlighting negative outcomes". Example Sentence: "Previous studies have failed to show any significant differences in …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: highlighting negative outcomes
The research to date has not been able to demonstrate significant advantages of using …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: highlighting negative outcomes". Example Sentence: "The research to date has not been able to demonstrate significant advantages of using …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: highlighting negative outcomes
Recent studies have failed to establish …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: highlighting negative outcomes". Example Sentence: "Recent studies have failed to establish …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Previous research: highlighting negative outcomes
Prior studies have been unsuccessful in accounting for all aspects of …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Previous research: highlighting negative outcomes". Example Sentence: "Prior studies have been unsuccessful in accounting for all aspects of …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Reference to previous research: important studies
The first detailed study of X was …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Reference to previous research: important studies". Example Sentence: "The first detailed study of X was …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Reference to previous research: important studies
Smith (1960) was one of the first to examine …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Reference to previous research: important studies". Example Sentence: "Smith (1960) was one of the first to examine …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Reference to previous research: important studies
The first systematic study of X was reported by …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Reference to previous research: important studies". Example Sentence: "The first systematic study of X was reported by …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Reference to previous research: important studies
Before Smith (1961), it was generally believed that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Reference to previous research: important studies". Example Sentence: "Before Smith (1961), it was generally believed that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Referring to a single investigation in the past: investigation prominent
The innovative and seminal work of Smith pioneered a new approach to examining X and provided
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring to a single investigation in the past: investigation prominent". Example Sentence: "The innovative and seminal work of Smith pioneered a new approach to examining X and provided ". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Referring to a single investigation in the past: investigation prominent
One longitudinal study found that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring to a single investigation in the past: investigation prominent". Example Sentence: "One longitudinal study found that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Referring to a single investigation in the past: investigation prominent
A seminal study in this area is the work of ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring to a single investigation in the past: investigation prominent". Example Sentence: "A seminal study in this area is the work of ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Referring to a single investigation in the past: investigation prominent
One study by Smith (2014) examined the trend in ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring to a single investigation in the past: investigation prominent". Example Sentence: "One study by Smith (2014) examined the trend in ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Referring to a single investigation in the past: researcher prominent
In one well-known recent experiment, limits on X were found to be ... (Smith, 2019).
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring to a single investigation in the past: researcher prominent". Example Sentence: "In one well-known recent experiment, limits on X were found to be ... (Smith, 2019).". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Referring to a single investigation in the past: researcher prominent
Smith’s comparative study (2017) found that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring to a single investigation in the past: researcher prominent". Example Sentence: "Smith’s comparative study (2017) found that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Referring to a single investigation in the past: researcher prominent
Jones’s comprehensive review concluded that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring to a single investigation in the past: researcher prominent". Example Sentence: "Jones’s comprehensive review concluded that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Introducing Work
Referring to a single investigation in the past: researcher prominent
Brown’s (1998) model of X assumes three main ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Introducing Work section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring to a single investigation in the past: researcher prominent". Example Sentence: "Brown’s (1998) model of X assumes three main ...". [/INST]