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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" } ]
Describing Methods
Describing the process: expressing purpose with for
The interview schedule comprised structured and open questions to identify and explore …
[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: expressing purpose with for". Example Sentence: "The interview schedule comprised structured and open questions to identify and explore …". [/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: expressing purpose with for
For the next two questions, a Likert scale was 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: "Describing the process: expressing purpose with for". Example Sentence: "For the next two questions, a Likert scale was 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
Describing the process: expressing purpose with for
For the purpose of analysis, two segments were extracted from each ...
[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: expressing purpose with for". Example Sentence: "For the purpose of analysis, two segments were extracted from each ...". [/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: expressing purpose with for
For the purpose of height measurement, participants were asked to stand ...
[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: expressing purpose with for". Example Sentence: "For the purpose of height measurement, participants were asked to stand ...". [/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 questionnaire design
For the estimation of protein concentration, 100 µL of protein sample was mixed 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 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 questionnaire design". Example Sentence: "For the estimation of protein concentration, 100 µL of protein sample was mixed 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" } ]
Describing Methods
Describing questionnaire design
The first question elicited information 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: "Describing questionnaire design". Example Sentence: "The first question elicited information 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
Describing questionnaire design
Seven questions, adapted from X, assessed …
[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 questionnaire design". Example Sentence: "Seven questions, adapted from X, assessed …". [/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 questionnaire design
All survey questions utilised a 5-point Likert scale.
[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 questionnaire design". Example Sentence: "All survey questions utilised a 5-point Likert scale.". [/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: statistical procedures
The questionnaire asked participants to complete three open-ended questions that asked about …
[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: statistical procedures". Example Sentence: "The questionnaire asked participants to complete three open-ended questions that asked about …". [/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: statistical procedures
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: statistical procedures". 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: statistical procedures
A p value <0.05 was considered significant.
[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: statistical procedures". Example Sentence: "A p value <0.05 was considered significant.". [/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: statistical procedures
Descriptive data were generated for all variables.
[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: statistical procedures". Example Sentence: "Descriptive data were generated for all variables.". [/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 methodological problems or limitations
The mean score for the two trials was subjected to multivariate analysis of variance to determine ...
[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 methodological problems or limitations". Example Sentence: "The mean score for the two trials was subjected to multivariate analysis of variance to determine ...". [/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 methodological problems or limitations
Several issues arose when collecting 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: "Indicating methodological problems or limitations". Example Sentence: "Several issues arose when collecting 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
Indicating methodological problems or limitations
In particular, the analysis of X was problematic.
[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 methodological problems or limitations". Example Sentence: "In particular, the analysis of X was problematic.". [/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 methodological problems or limitations
In observational studies, there is a potential for bias 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: "Indicating methodological problems or limitations". Example Sentence: "In observational studies, there is a potential for bias 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" } ]
Reporting Results
Referring back to the research aims or procedures
The responses relating to X were subjective and were therefore susceptible to recall bias.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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 back to the research aims or procedures". Example Sentence: "The responses relating to X were subjective and were therefore susceptible to recall bias.". [/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" } ]
Reporting Results
Referring back to the research aims or procedures
The first set of questions aimed 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 Reporting Results 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 back to the research aims or procedures". Example Sentence: "The first set of questions aimed 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" } ]
Reporting Results
Referring back to the research aims or procedures
To compare the difference between …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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 back to the research aims or procedures". Example Sentence: "To compare the difference between …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Referring back to the research aims or procedures
The purpose of Experiment 3 was to …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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 back to the research aims or procedures". Example Sentence: "The purpose of Experiment 3 was to …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Transition: moving to the next result
The Pearson product moment correlation coefficient was used to determine the relationship …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Transition: moving to the next result". Example Sentence: "The Pearson product moment correlation coefficient was used to determine the relationship …". [/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" } ]
Reporting Results
Transition: moving to the next result
If we now turn 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 Reporting Results 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: "Transition: moving to the next result". Example Sentence: "If we now turn 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" } ]
Reporting Results
Transition: moving to the next result
Further analysis shows 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 Reporting Results 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: "Transition: moving to the next result". Example Sentence: "Further analysis shows 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" } ]
Reporting Results
Transition: moving to the next result
Further statistical tests revealed ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Transition: moving to the next result". Example Sentence: "Further statistical tests revealed ...". [/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" } ]
Reporting Results
Referring to data in a table or chart
Figure 2 presents the median and range of scores for each group.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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 data in a table or chart". Example Sentence: "Figure 2 presents the median and range of scores for each group.". [/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" } ]
Reporting Results
Referring to data in a table or chart
Table 3b shows an overview 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 Reporting Results 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 data in a table or chart". Example Sentence: "Table 3b shows an overview 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" } ]
Reporting Results
Referring to data in a table or chart
Table 1 displays the experimental data on 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 Reporting Results 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 data in a table or chart". Example Sentence: "Table 1 displays the experimental data on 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" } ]
Reporting Results
Referring to data in a table or chart
Figure 1 shows the breakdown of X 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 Reporting Results 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 data in a table or chart". Example Sentence: "Figure 1 shows the breakdown of X 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" } ]
Reporting Results
Highlighting significant data in a table or chart
Check
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Highlighting significant data in a table or chart". Example Sentence: "Check". [/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" } ]
Reporting Results
Highlighting significant data in a table or chart
What stands out in the table is …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Highlighting significant data in a table or chart". Example Sentence: "What stands out in the table is …". [/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" } ]
Reporting Results
Highlighting significant data in a table or chart
Closer inspection of the table shows …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Highlighting significant data in a table or chart". Example Sentence: "Closer inspection of the table shows …". [/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" } ]
Reporting Results
Highlighting significant data in a table or chart
The X in Figure 2 is interesting because …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Highlighting significant data in a table or chart". Example Sentence: "The X in Figure 2 is interesting because …". [/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" } ]
Reporting Results
Stating a positive result
As Table III shows, there is a significant difference (t = -2.15, p = 0.03) between the two groups.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating a positive result". Example Sentence: "As Table III shows, there is a significant difference (t = -2.15, p = 0.03) between the two groups.". [/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" } ]
Reporting Results
Stating a positive result
The mean score for X was ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating a positive result". Example Sentence: "The mean score for X was ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Stating a positive result
An increase in X was detected.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating a positive result". Example Sentence: "An increase in X was detected.". [/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" } ]
Reporting Results
Stating a positive result
A two-way ANOVA revealed 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 Reporting Results section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating a positive result". Example Sentence: "A two-way ANOVA revealed 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" } ]
Reporting Results
Stating a negative result
There is a moderate correlation (r2 = 0.60, significant at less than 1% probability) between …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating a negative result". Example Sentence: "There is a moderate correlation (r2 = 0.60, significant at less than 1% probability) between …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Stating a negative result
No increase in X was detected.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating a negative result". Example Sentence: "No increase in X was detected.". [/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" } ]
Reporting Results
Stating a negative result
No difference greater than X was observed.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating a negative result". Example Sentence: "No difference greater than X was observed.". [/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" } ]
Reporting Results
Stating a negative result
No significant differences were found between ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Stating a negative result". Example Sentence: "No significant differences were found between ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Reporting positive and negative reactions
T-tests found no significant differences in mean scores on the X and Y subscales.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Reporting positive and negative reactions". Example Sentence: "T-tests found no significant differences in mean scores on the X and Y subscales.". [/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" } ]
Reporting Results
Reporting positive and negative reactions
X occurred with successive increases in Y.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Reporting positive and negative reactions". Example Sentence: "X occurred with successive increases in Y.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Reporting positive and negative reactions
Increasing the strength of X led to a reduction 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 Reporting Results 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: "Reporting positive and negative reactions". Example Sentence: "Increasing the strength of X led to a reduction 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" } ]
Reporting Results
Reporting positive and negative reactions
With successive increases in intensity of the X, the Y moved further 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 Reporting Results 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: "Reporting positive and negative reactions". Example Sentence: "With successive increases in intensity of the X, the Y moved further 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" } ]
Reporting Results
Highlighting interesting or surprising results
When X cells were stimulated with Y, no significant difference in Z was detected.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Highlighting interesting or surprising results". Example Sentence: "When X cells were stimulated with Y, no significant difference in Z was detected.". [/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" } ]
Reporting Results
Highlighting interesting or surprising results
Of interest here is the increase 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 Reporting Results 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: "Highlighting interesting or surprising results". Example Sentence: "Of interest here is the increase 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" } ]
Reporting Results
Highlighting interesting or surprising results
Interestingly, the X was observed 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 Reporting Results 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: "Highlighting interesting or surprising results". Example Sentence: "Interestingly, the X was observed 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" } ]
Reporting Results
Highlighting interesting or surprising results
This result is somewhat counterintuitive.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Highlighting interesting or surprising results". Example Sentence: "This result is somewhat counterintuitive.". [/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" } ]
Reporting Results
Surveys and interviews: Reporting response rates
The single most striking observation to emerge from the data comparison was ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Reporting response rates". Example Sentence: "The single most striking observation to emerge from the data comparison was ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Surveys and interviews: Reporting response rates
The overall response to the survey was poor.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Reporting response rates". Example Sentence: "The overall response to the survey was poor.". [/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" } ]
Reporting Results
Surveys and interviews: Reporting response rates
Thirty-two individuals returned the questionnaires.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Reporting response rates". Example Sentence: "Thirty-two individuals returned the questionnaires.". [/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" } ]
Reporting Results
Surveys and interviews: Reporting response rates
The response rate was 60% at six months and 56% at 12 months.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Reporting response rates". Example Sentence: "The response rate was 60% at six months and 56% at 12 months.". [/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" } ]
Reporting Results
Surveys and interviews: Reporting proportions
This section of the questionnaire required respondents to give information 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 Reporting Results 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: "Surveys and interviews: Reporting proportions". Example Sentence: "This section of the questionnaire required respondents to give information 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" } ]
Reporting Results
Surveys and interviews: Reporting proportions
Over half of those surveyed reported 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 Reporting Results 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: "Surveys and interviews: Reporting proportions". Example Sentence: "Over half of those surveyed reported 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" } ]
Reporting Results
Surveys and interviews: Reporting proportions
A minority of participants (17%) indicated 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 Reporting Results 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: "Surveys and interviews: Reporting proportions". Example Sentence: "A minority of participants (17%) indicated 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" } ]
Reporting Results
Surveys and interviews: Reporting proportions
70% of those who were interviewed indicated 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 Reporting Results 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: "Surveys and interviews: Reporting proportions". Example Sentence: "70% of those who were interviewed indicated 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" } ]
Reporting Results
Surveys and interviews: Reporting themes
Of the 148 patients who completed the questionnaire, just over half indicated 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 Reporting Results 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: "Surveys and interviews: Reporting themes". Example Sentence: "Of the 148 patients who completed the questionnaire, just over half indicated 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" } ]
Reporting Results
Surveys and interviews: Reporting themes
Another reported problem was …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Reporting themes". Example Sentence: "Another reported problem was …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Surveys and interviews: Reporting themes
Opinions differed as to whether …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Reporting themes". Example Sentence: "Opinions differed as to whether …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Surveys and interviews: Reporting themes
Concerns were expressed about …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Reporting themes". Example Sentence: "Concerns were expressed about …". [/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" } ]
Reporting Results
Surveys and interviews: Introducing excerpts from interview data
A recurrent theme in the interviews was a sense amongst interviewees 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 Reporting Results 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: "Surveys and interviews: Introducing excerpts from interview data". Example Sentence: "A recurrent theme in the interviews was a sense amongst interviewees 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" } ]
Reporting Results
Surveys and interviews: Introducing excerpts from interview data
As one interviewee said: ‘...’
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Introducing excerpts from interview data". Example Sentence: "As one interviewee said: ‘...’". [/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" } ]
Reporting Results
Surveys and interviews: Introducing excerpts from interview data
As one interviewee put it: ‘...’
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Introducing excerpts from interview data". Example Sentence: "As one interviewee put it: ‘...’". [/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" } ]
Reporting Results
Surveys and interviews: Introducing excerpts from interview data
One informant reported 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 Reporting Results 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: "Surveys and interviews: Introducing excerpts from interview data". Example Sentence: "One informant reported 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" } ]
Reporting Results
Surveys and interviews: Reporting participants’ views
One individual stated that ‘...’ And another commented ‘...’
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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: "Surveys and interviews: Reporting participants’ views". Example Sentence: "One individual stated that ‘...’ And another commented ‘...’". [/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" } ]
Reporting Results
Surveys and interviews: Reporting participants’ views
It was 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 Reporting Results 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: "Surveys and interviews: Reporting participants’ views". Example Sentence: "It was 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" } ]
Reporting Results
Surveys and interviews: Reporting participants’ views
One interviewee 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 Reporting Results 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: "Surveys and interviews: Reporting participants’ views". Example Sentence: "One interviewee 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" } ]
Reporting Results
Surveys and interviews: Reporting participants’ views
There were some suggestions 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 Reporting Results 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: "Surveys and interviews: Reporting participants’ views". Example Sentence: "There were some suggestions 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" } ]
Reporting Results
Summarising the results section
When asked about X, the participants were unanimous in the view 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 Reporting Results 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 results section". Example Sentence: "When asked about X, the participants were unanimous in the view 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" } ]
Reporting Results
Summarising the results section
These results suggest that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Reporting Results 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 results section". Example Sentence: "These results suggest that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Reporting Results
Summarising the results section
The results also 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 Reporting Results 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 results section". Example Sentence: "The results also 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" } ]
Reporting Results
Summarising the results section
Overall, these results 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 Reporting Results 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 results section". Example Sentence: "Overall, these results 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" } ]
Discussing Findings
Providing background information: reference to the literature
The results in this chapter indicate that ... The next chapter, therefore, moves on to discuss 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 Discussing Findings 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: "Providing background information: reference to the literature". Example Sentence: "The results in this chapter indicate that ... The next chapter, therefore, moves on to discuss 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" } ]
Discussing Findings
Providing background information: reference to the literature
A number of recent studies …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Providing background information: reference to the literature". Example Sentence: "A number of recent studies …". [/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" } ]
Discussing Findings
Providing background information: reference to the literature
Several reports have 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 Discussing Findings 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: "Providing background information: reference to the literature". Example Sentence: "Several reports have 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" } ]
Discussing Findings
Providing background information: reference to the literature
As mentioned in the literature review, ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Providing background information: reference to the literature". Example Sentence: "As mentioned in the literature review, ...". [/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" } ]
Discussing Findings
Providing background information: reference to the purpose of the study
In reviewing the literature, no data was found on the association between X and Y.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Providing background information: reference to the purpose of the study". Example Sentence: "In reviewing the literature, no data was found on the association between X and Y.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Providing background information: reference to the purpose of the study
One of the aims of this study was to …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Providing background information: reference to the purpose of the study". Example Sentence: "One of the aims of this study was to …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Providing background information: reference to the purpose of the study
The third question in this research was ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Providing background information: reference to the purpose of the study". Example Sentence: "The third question in this research was ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Providing background information: reference to the purpose of the study
An initial objective of the project was to identify ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Providing background information: reference to the purpose of the study". Example Sentence: "An initial objective of the project was to identify ...". [/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" } ]
Discussing Findings
Restating a result or one of several results
With respect to the first research question, it was found that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Restating a result or one of several results". Example Sentence: "With respect to the first research question, it was found that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Restating a result or one of several results
This study found that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Restating a result or one of several results". Example Sentence: "This study found that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Restating a result or one of several results
Another finding 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 Discussing Findings 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: "Restating a result or one of several results". Example Sentence: "Another finding 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" } ]
Discussing Findings
Restating a result or one of several results
The results of this study 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 Discussing Findings 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: "Restating a result or one of several results". Example Sentence: "The results of this study 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" } ]
Discussing Findings
Pointing out interesting or important findings
The most obvious finding to emerge from the analysis 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 Discussing Findings 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: "Pointing out interesting or important findings". Example Sentence: "The most obvious finding to emerge from the analysis 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" } ]
Discussing Findings
Pointing out interesting or important findings
One interesting finding is ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Pointing out interesting or important findings". Example Sentence: "One interesting finding is ...". [/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" } ]
Discussing Findings
Pointing out interesting or important findings
Another important finding 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 Discussing Findings 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: "Pointing out interesting or important findings". Example Sentence: "Another important finding 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" } ]
Discussing Findings
Pointing out interesting or important findings
The most important result was 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 Discussing Findings 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: "Pointing out interesting or important findings". Example Sentence: "The most important result was 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" } ]
Discussing Findings
Indicating an unexpected outcome
Another finding that stands out from the results reported earlier is …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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 an unexpected outcome". Example Sentence: "Another finding that stands out from the results reported earlier is …". [/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" } ]
Discussing Findings
Indicating an unexpected outcome
What is surprising 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 Discussing Findings 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 an unexpected outcome". Example Sentence: "What is surprising 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" } ]
Discussing Findings
Indicating an unexpected outcome
Surprisingly, X was found 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 Discussing Findings 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 an unexpected outcome". Example Sentence: "Surprisingly, X was found 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" } ]
Discussing Findings
Indicating an unexpected outcome
One unanticipated result was 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 Discussing Findings 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 an unexpected outcome". Example Sentence: "One unanticipated result was 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" } ]
Discussing Findings
Indicating an expected outcome
It was surprising that the X group scores did not differ significantly from those of the Y group.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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 an expected outcome". Example Sentence: "It was surprising that the X group scores did not differ significantly from those of the Y group.". [/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" } ]
Discussing Findings
Indicating an expected outcome
As might be expected, …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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 an expected outcome". Example Sentence: "As might be expected, …". [/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" } ]
Discussing Findings
Indicating an expected outcome
It was not surprising to see 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 Discussing Findings 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 an expected outcome". Example Sentence: "It was not surprising to see 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" } ]
Discussing Findings
Indicating an expected outcome
This finding was not unexpected since …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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 an expected outcome". Example Sentence: "This finding was not unexpected since …". [/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" } ]
Discussing Findings
Comparing the result: supporting previous findings
The analysis of the effects of X on Y has, perhaps unsurprisingly, 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 Discussing Findings 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: "Comparing the result: supporting previous findings". Example Sentence: "The analysis of the effects of X on Y has, perhaps unsurprisingly, 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" } ]
Discussing Findings
Comparing the result: supporting previous findings
This study confirms that X is associated 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 Discussing Findings 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: "Comparing the result: supporting previous findings". Example Sentence: "This study confirms that X is associated 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" } ]
Discussing Findings
Comparing the result: supporting previous findings
Smith et al. (2015) reported similar effects when …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Comparing the result: supporting previous findings". Example Sentence: "Smith et al. (2015) reported similar effects when …". [/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" } ]
Discussing Findings
Comparing the result: supporting previous findings
This finding was also reported by Smith et al. (1998).
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings 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: "Comparing the result: supporting previous findings". Example Sentence: "This finding was also reported by Smith et al. (1998).". [/INST]