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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
Referring to important texts in the area of interest
Brown’s (2022) recent analysis of X provides a strong critique 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 important texts in the area of interest". Example Sentence: "Brown’s (2022) recent analysis of X provides a strong critique 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 important texts in the area of interest
With its publication in 1876, Smith’s XXXXX established …
[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 important texts in the area of interest". Example Sentence: "With its publication in 1876, Smith’s XXXXX established …". [/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 important texts in the area of interest
In 1859, the publication of XXXXX had a major impact 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: "Referring to important texts in the area of interest". Example Sentence: "In 1859, the publication of XXXXX had a major impact 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
Referring to important texts in the area of interest
In his seminal text, XXXXX, Smith devoted some attention 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: "Referring to important texts in the area of interest". Example Sentence: "In his seminal text, XXXXX, Smith devoted some attention 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
Describing what other writers do in their published work
Smith et al., in their book XXXXX (2006), give some reliable methods for calculating …
[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 what other writers do in their published work". Example Sentence: "Smith et al., in their book XXXXX (2006), give some reliable methods for calculating …". [/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 what other writers do in their published work
On the basis of these findings, Smith proposes 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: "Describing what other writers do in their published work". Example Sentence: "On the basis of these findings, Smith proposes 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
Describing what other writers do in their published work
In his analysis of X, Smith (2020) seeks to challenge …
[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 what other writers do in their published work". Example Sentence: "In his analysis of X, Smith (2020) seeks to challenge …". [/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 what other writers do in their published work
In Chapter 2, Smith provides us with a number of important ...
[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 what other writers do in their published work". Example Sentence: "In Chapter 2, Smith provides us with a number of important ...". [/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 another writer’s idea(s) or position
Other authors (see Smith, 2016; Jones, 2019) question the usefulness of such an 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: "Referring to another writer’s idea(s) or position". Example Sentence: "Other authors (see Smith, 2016; Jones, 2019) question the usefulness of such an 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
Referring to another writer’s idea(s) or position
According to Smith (2003), preventative medicine is far more cost effective, and therefore ...
[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 another writer’s idea(s) or position". Example Sentence: "According to Smith (2003), preventative medicine is far more cost effective, and therefore ...". [/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 another writer’s idea(s) or position
Smith (2013) claims that preventative medicine is far more cost effective than …
[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 another writer’s idea(s) or position". Example Sentence: "Smith (2013) claims that preventative medicine is far more cost effective than …". [/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 another writer’s idea(s) or position
Jones (2013) offers an explanatory theory 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: "Referring to another writer’s idea(s) or position". Example Sentence: "Jones (2013) offers an explanatory theory 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
Synthesising sources: supporting evidence or ideas
Similarly, Jones (2015) found that 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: "Synthesising sources: supporting evidence or ideas". Example Sentence: "Similarly, Jones (2015) found that 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
Synthesising sources: supporting evidence or ideas
This is consistent with the data obtained 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: "Synthesising sources: supporting evidence or ideas". Example Sentence: "This is consistent with the data obtained 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
Synthesising sources: supporting evidence or ideas
Smith (1995) makes a similar point in his study of 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: "Synthesising sources: supporting evidence or ideas". Example Sentence: "Smith (1995) makes a similar point in his study of 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
Synthesising sources: supporting evidence or ideas
In the same vein, Smith (1995) in his book XYZ notes ...
[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: "Synthesising sources: supporting evidence or ideas". Example Sentence: "In the same vein, Smith (1995) in his book XYZ notes ...". [/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
Synthesising sources: contrasting evidence or ideas
A broadly similar point has also recently been made by Johnson (2019), who …
[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: "Synthesising sources: contrasting evidence or ideas". Example Sentence: "A broadly similar point has also recently been made by Johnson (2019), who …". [/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
Synthesising sources: contrasting evidence or ideas
Other writers have argued 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: "Synthesising sources: contrasting evidence or ideas". Example Sentence: "Other writers have argued 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
Synthesising sources: contrasting evidence or ideas
Other studies have 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: "Synthesising sources: contrasting evidence or ideas". Example Sentence: "Other studies have 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
Synthesising sources: contrasting evidence or ideas
Unlike Smith, Jones (2013) argues 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: "Synthesising sources: contrasting evidence or ideas". Example Sentence: "Unlike Smith, Jones (2013) argues 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
Contrasting sources with ‘however’ for emphasis
Much of the available literature on X deals with the question of … However, Smith (2008) is much more concerned 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: "Contrasting sources with ‘however’ for emphasis". Example Sentence: "Much of the available literature on X deals with the question of … However, Smith (2008) is much more concerned 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
Contrasting sources with ‘however’ for emphasis
According to some studies, X is represented as … (Smith, 2012; Davis, 2014). However, others propose … (Jones, 2014; Brown, 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: "Contrasting sources with ‘however’ for emphasis". Example Sentence: "According to some studies, X is represented as … (Smith, 2012; Davis, 2014). However, others propose … (Jones, 2014; Brown, 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
Contrasting sources with ‘however’ for emphasis
Smith (2013) found that X accounted for approximately 30% of Y. Other researchers, however, who have looked at X, have found ... Jones (2010), for example, …
[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: "Contrasting sources with ‘however’ for emphasis". Example Sentence: "Smith (2013) found that X accounted for approximately 30% of Y. Other researchers, however, who have looked at X, have found ... Jones (2010), for example, …". [/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
Contrasting sources with ‘however’ for emphasis
Smith (2002) reports that ... Jones’s (2010) study of Y, however, found little evidence 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: "Contrasting sources with ‘however’ for emphasis". Example Sentence: "Smith (2002) reports that ... Jones’s (2010) study of Y, however, found little evidence 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 secondary sources
Smith (1973, cited in Jones, 2010) points out 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 secondary sources". Example Sentence: "Smith (1973, cited in Jones, 2010) points out 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 secondary sources
Smith draws on the work of Jones (1959) who suggested 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 secondary sources". Example Sentence: "Smith draws on the work of Jones (1959) who suggested 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 secondary sources
Building on the work of Jones (2008), Smith (2012) argues 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 secondary sources". Example Sentence: "Building on the work of Jones (2008), Smith (2012) argues 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 secondary sources
Smith (2012) revisits and updates the Jones (1996) model of X 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: "Referring to secondary sources". Example Sentence: "Smith (2012) revisits and updates the Jones (1996) model of X 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
Some ways of introducing quotations
Drawing on the work of a wide range of philosophers, Smith (2018) advances the notion 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: "Some ways of introducing quotations". Example Sentence: "Drawing on the work of a wide range of philosophers, Smith (2018) advances the notion 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
Some ways of introducing quotations
Commenting on X, Smith (2003) argues: ‘... ...’
[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: "Some ways of introducing quotations". Example Sentence: "Commenting on X, Smith (2003) argues: ‘... ...’". [/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
Some ways of introducing quotations
As Jones (2014: 215) states: ‘there are many good reasons to be sceptical’.
[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: "Some ways of introducing quotations". Example Sentence: "As Jones (2014: 215) states: ‘there are many good reasons to be sceptical’.". [/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
Some ways of introducing quotations
As Smith argues: ‘In the past, the purpose of education was to ...’ (Smith, 2000:150).
[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: "Some ways of introducing quotations". Example Sentence: "As Smith argues: ‘In the past, the purpose of education was to ...’ (Smith, 2000:150).". [/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
Summarising the studies reviewed
Sachs concludes: ‘The idea of development stands today like a ruin in …’ (Sachs, 1992a: 156).
[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: "Summarising the studies reviewed". Example Sentence: "Sachs concludes: ‘The idea of development stands today like a ruin in …’ (Sachs, 1992a: 156).". [/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
Summarising the studies reviewed
Together, these studies indicate 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: "Summarising the studies reviewed". Example Sentence: "Together, these studies indicate 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
Summarising the studies reviewed
Overall, these studies highlight the need 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: "Summarising the studies reviewed". Example Sentence: "Overall, these studies highlight the need 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
Summarising the studies reviewed
Considering all of this evidence, it seems 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: "Summarising the studies reviewed". Example Sentence: "Considering all of this evidence, it seems 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
Summarising the literature review
There remain several aspects of X about which relatively little is known.
[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: "Summarising the literature review". Example Sentence: "There remain several aspects of X about which relatively little is known.". [/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
Summarising the literature review
The previous section has shown 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: "Summarising the literature review". Example Sentence: "The previous section has shown 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
Summarising the literature review
In conclusion, these studies show 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: "Summarising the literature review". Example Sentence: "In conclusion, these studies show 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
Summarising the literature review
The evidence reviewed here seems to suggest …
[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: "Summarising the literature review". Example Sentence: "The evidence reviewed here seems to suggest …". [/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" } ]
Describing Methods
Describing previously used methods
This section has attempted to provide a brief summary of the literature relating 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 Describing Methods 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 previously used methods". Example Sentence: "This section has attempted to provide a brief summary of the literature relating 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" } ]
Describing Methods
Describing previously used methods
Many researchers have utilised X to measure …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 previously used methods". Example Sentence: "Many researchers have utilised X to measure …". [/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" } ]
Describing Methods
Describing previously used methods
One of the most well-known tools for assessing …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 previously used methods". Example Sentence: "One of the most well-known tools for assessing …". [/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" } ]
Describing Methods
Describing previously used methods
Traditionally, X has been assessed by measuring ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 previously used methods". Example Sentence: "Traditionally, X has been assessed by measuring ...". [/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" } ]
Describing Methods
Indicating the methodology for the current research
Two of the most common methods for estimating X are the use of Y and the measurement of Z.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating the methodology for the current research". Example Sentence: "Two of the most common methods for estimating X are the use of Y and the measurement of Z.". [/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" } ]
Describing Methods
Indicating the methodology for the current research
The present study utilises X to analyse …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating the methodology for the current research". Example Sentence: "The present study utilises X to analyse …". [/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" } ]
Describing Methods
Indicating the methodology for the current research
The current study adopts a case study 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 Describing Methods 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: "Indicating the methodology for the current research". Example Sentence: "The current study adopts a case study 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" } ]
Describing Methods
Indicating the methodology for the current research
A qualitative methodology is employed in this study.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating the methodology for the current research". Example Sentence: "A qualitative methodology is employed in this study.". [/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" } ]
Describing Methods
Giving reasons why a particular method was adopted
This study employs qualitative analysis and natural language processing 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 Describing Methods 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 why a particular method was adopted". Example Sentence: "This study employs qualitative analysis and natural language processing 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" } ]
Describing Methods
Giving reasons why a particular method was adopted
A major advantage of X 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 Describing Methods 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 why a particular method was adopted". Example Sentence: "A major advantage of X 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" } ]
Describing Methods
Giving reasons why a particular method was adopted
The benefit of this approach 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 Describing Methods 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 why a particular method was adopted". Example Sentence: "The benefit of this approach 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" } ]
Describing Methods
Giving reasons why a particular method was adopted
The decision to use X was based 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 Describing Methods 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 why a particular method was adopted". Example Sentence: "The decision to use X was based 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" } ]
Describing Methods
Referring to the literature to justify a method or approach
It was considered that quantitative measures would usefully supplement and extend 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 Describing Methods 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 the literature to justify a method or approach ". Example Sentence: "It was considered that quantitative measures would usefully supplement and extend 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" } ]
Describing Methods
Referring to the literature to justify a method or approach
In a recent article, Smith (2009) argues that case studies offer …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 the literature to justify a method or approach ". Example Sentence: "In a recent article, Smith (2009) argues that case studies offer …". [/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" } ]
Describing Methods
Referring to the literature to justify a method or approach
Smith (2020) has shown that this technique is very sensitive 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 Describing Methods 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 the literature to justify a method or approach ". Example Sentence: "Smith (2020) has shown that this technique is very sensitive 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" } ]
Describing Methods
Referring to the literature to justify a method or approach
Smith et al. (1994) identify several advantages of the case study ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 the literature to justify a method or approach ". Example Sentence: "Smith et al. (1994) identify several advantages of the case study ...". [/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" } ]
Describing Methods
Indicating the use of an established method
Smith (2006) points out that there is a role for both qualitative and quantitative approaches 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 Describing Methods 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: "Indicating the use of an established method". Example Sentence: "Smith (2006) points out that there is a role for both qualitative and quantitative approaches 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" } ]
Describing Methods
Indicating the use of an established method
The solution was then assayed for X using the Y method.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating the use of an established method". Example Sentence: "The solution was then assayed for X using the Y method.". [/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" } ]
Describing Methods
Indicating the use of an established method
X was prepared according to the procedure used by Smith et al. (1990).
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating the use of an established method". Example Sentence: "X was prepared according to the procedure used by Smith et al. (1990).". [/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" } ]
Describing Methods
Indicating the use of an established method
X was synthesised using the same method that was detailed for Y, 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 Describing Methods 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: "Indicating the use of an established method". Example Sentence: "X was synthesised using the same method that was detailed for Y, 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" } ]
Describing Methods
Giving reasons why a particular method was rejected
The questionnaire was adapted from that used by Smith et al. (1990) and included questions 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 Describing Methods 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 why a particular method was rejected". Example Sentence: "The questionnaire was adapted from that used by Smith et al. (1990) and included questions 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" } ]
Describing Methods
Giving reasons why a particular method was rejected
The limitation of this approach 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 Describing Methods 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 why a particular method was rejected". Example Sentence: "The limitation of this approach 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" } ]
Describing Methods
Giving reasons why a particular method was rejected
A disadvantage of many cohort studies 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 Describing Methods 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 why a particular method was rejected". Example Sentence: "A disadvantage of many cohort studies 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" } ]
Describing Methods
Giving reasons why a particular method was rejected
A major problem with the experimental method 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 Describing Methods 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 why a particular method was rejected". Example Sentence: "A major problem with the experimental method 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" } ]
Describing Methods
Explaining the provenance of the participants
There are certain problems with the use of focus groups. One of these is that there is less ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 provenance of the participants". Example Sentence: "There are certain problems with the use of focus groups. One of these is that there is less ...". [/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" } ]
Describing Methods
Explaining the provenance of the participants
A random sample of patients with X was recruited from ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 provenance of the participants". Example Sentence: "A random sample of patients with X was recruited from ...". [/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" } ]
Describing Methods
Explaining the provenance of the participants
Forty-seven students studying X were recruited for this study.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 provenance of the participants". Example Sentence: "Forty-seven students studying X were recruited for this study.". [/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" } ]
Describing Methods
Explaining the provenance of the participants
The 5,880 study participants were recruited from four urban communities …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 provenance of the participants". Example Sentence: "The 5,880 study participants were recruited from four urban communities … ". [/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" } ]
Describing Methods
Describing the characteristics of the participants
A comparison group of 12 male subjects without any history of X was drawn from a pool 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 Describing Methods 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 characteristics of the participants". Example Sentence: "A comparison group of 12 male subjects without any history of X was drawn from a pool 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" } ]
Describing Methods
Describing the characteristics of the participants
The cohort was divided into two groups according 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 Describing Methods 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 characteristics of the participants". Example Sentence: "The cohort was divided into two groups according 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" } ]
Describing Methods
Describing the characteristics of the participants
The sample was representative with respect to gender 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 Describing Methods 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 characteristics of the participants". Example Sentence: "The sample was representative with respect to gender 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" } ]
Describing Methods
Describing the characteristics of the participants
Just over half the sample (53%) was female, of whom 69% were ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 characteristics of the participants". Example Sentence: "Just over half the sample (53%) was female, of whom 69% were ...". [/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" } ]
Describing Methods
Explaining the provenance of articles for review
Semi-structured interviews were conducted with 17 male participants with a mean age of 38 years.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 provenance of articles for review". Example Sentence: "Semi-structured interviews were conducted with 17 male participants with a mean age of 38 years.". [/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" } ]
Describing Methods
Explaining the provenance of articles for review
Literature was identified by searching …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 provenance of articles for review". Example Sentence: "Literature was identified by searching …". [/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" } ]
Describing Methods
Explaining the provenance of articles for review
X was searched to uncover studies relating 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 Describing Methods 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 provenance of articles for review". Example Sentence: "X was searched to uncover studies relating 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" } ]
Describing Methods
Explaining the provenance of articles for review
Additional searches were performed using the Index 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 Describing Methods 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 provenance of articles for review". Example Sentence: "Additional searches were performed using the Index 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" } ]
Describing Methods
Indicating criteria for selection or inclusion in the study
The literature was searched using electronic databases covering the period 2000–2008.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating criteria for selection or inclusion in the study". Example Sentence: "The literature was searched using electronic databases covering the period 2000–2008.". [/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" } ]
Describing Methods
Indicating criteria for selection or inclusion in the study
Publications were only included in the analysis if…
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating criteria for selection or inclusion in the study". Example Sentence: "Publications were only included in the analysis if…". [/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" } ]
Describing Methods
Indicating criteria for selection or inclusion in the study
To identify X, the following parameters were used: …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating criteria for selection or inclusion in the study". Example Sentence: "To identify X, the following parameters were used: … ". [/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" } ]
Describing Methods
Indicating criteria for selection or inclusion in the study
Criteria for selecting the participants were as follows:
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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: "Indicating criteria for selection or inclusion in the study". Example Sentence: "Criteria for selecting the participants were as follows:". [/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" } ]
Describing Methods
Describing the process: typical verbs in the passive form
All participants were sent …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 process: typical verbs in the passive form". Example Sentence: "All participants were sent … ". [/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" } ]
Describing Methods
Describing the process: typical verbs in the passive form
The data were normalised 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 Describing Methods 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 process: typical verbs in the passive form". Example Sentence: "The data were normalised 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" } ]
Describing Methods
Describing the process: typical verbs in the passive form
Ethical approval was obtained from ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 process: typical verbs in the passive form". Example Sentence: "Ethical approval was obtained from ...". [/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" } ]
Describing Methods
Describing the process: typical verbs in the passive form
The drug was administered by ICV injection …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 process: typical verbs in the passive form". Example Sentence: "The drug was administered by ICV injection …". [/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" } ]
Describing Methods
Describing the process: sequence words
Prior to commencing the study, ethical clearance was sought from…
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 process: sequence words". Example Sentence: "Prior to commencing the study, ethical clearance was sought from…". [/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" } ]
Describing Methods
Describing the process: sequence words
Immediately after ‘training’, the participants were told 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 Describing Methods 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 process: sequence words". Example Sentence: "Immediately after ‘training’, the participants were told 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" } ]
Describing Methods
Describing the process: sequence words
On arrival at the clinic, patients were asked 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 Describing Methods 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 process: sequence words". Example Sentence: "On arrival at the clinic, patients were asked 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" } ]
Describing Methods
Describing the process: sequence words
Once the samples were extracted, it was first necessary 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 Describing Methods 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 process: sequence words". Example Sentence: "Once the samples were extracted, it was first necessary 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" } ]
Describing Methods
Describing the process: using + instrument
All the work on the computer was carried out 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 Describing Methods 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 process: using + instrument". Example Sentence: "All the work on the computer was carried out 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" } ]
Describing Methods
Describing the process: using + instrument
Data were collected using two high spectral resolution Xs.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 process: using + instrument". Example Sentence: "Data were collected using two high spectral resolution Xs. ". [/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" } ]
Describing Methods
Describing the process: using + instrument
Semi-automated genotyping was carried out using X software 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 Describing Methods 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 process: using + instrument". Example Sentence: "Semi-automated genotyping was carried out using X software 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" } ]
Describing Methods
Describing the process: using + instrument
Qualitative data were collected using a semi-structured questionnaire.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 process: using + instrument". Example Sentence: "Qualitative data were collected using a semi-structured questionnaire.". [/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" } ]
Describing Methods
Describing the process: adverbs of manner
The resulting solution was gently mixed at room temperature 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 Describing Methods 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 process: adverbs of manner". Example Sentence: "The resulting solution was gently mixed at room temperature 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" } ]
Describing Methods
Describing the process: adverbs of manner
A sample of the concentrate was then carefully injected 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 Describing Methods 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 process: adverbs of manner". Example Sentence: " A sample of the concentrate was then carefully injected 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" } ]
Describing Methods
Describing the process: adverbs of manner
The soil was then placed in a furnace and gradually heated up 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 Describing Methods 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 process: adverbs of manner". Example Sentence: "The soil was then placed in a furnace and gradually heated up 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" } ]
Describing Methods
Describing the process: adverbs of manner
The vials were shaken manually to allow the soil to mix well with the water.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 process: adverbs of manner". Example Sentence: "The vials were shaken manually to allow the soil to mix well with the water.". [/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" } ]
Describing Methods
Describing the process: infinitive of purpose
In order to investigate the effects 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 Describing Methods 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 process: infinitive of purpose". Example Sentence: "In order to investigate the effects 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" } ]
Describing Methods
Describing the process: infinitive of purpose
In order to identify …, the participants were asked 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 Describing Methods 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 process: infinitive of purpose". Example Sentence: "In order to identify …, the participants were asked 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" } ]
Describing Methods
Describing the process: infinitive of purpose
In order to help familiarise participants with …, they were asked 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 Describing Methods 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 process: infinitive of purpose". Example Sentence: "In order to help familiarise participants with …, they were asked 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" } ]
Describing Methods
Describing the process: infinitive of purpose
In order to address these ethical concerns, the following steps were taken: …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Describing Methods 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 process: infinitive of purpose". Example Sentence: "In order to address these ethical concerns, the following steps were taken: …". [/INST]