{"id":"https://openalex.org/W2294082838","doi":"https://doi.org/10.1145/2830168.2830170","title":"Developing a high-performance quantum chemistry program with a dynamic scripting language","display_name":"Developing a high-performance quantum chemistry program with a dynamic scripting language","publication_year":2015,"publication_date":"2015-11-11","ids":{"openalex":"https://openalex.org/W2294082838","doi":"https://doi.org/10.1145/2830168.2830170","mag":"2294082838"},"language":"en","primary_location":{"id":"doi:10.1145/2830168.2830170","is_oa":true,"landing_page_url":"https://doi.org/10.1145/2830168.2830170","pdf_url":"http://dl.acm.org/ft_gateway.cfm?id=2830170&type=pdf","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 3rd International Workshop on Software Engineering for High Performance Computing in Computational Science and Engineering","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"http://dl.acm.org/ft_gateway.cfm?id=2830170&type=pdf","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5075550076","display_name":"Tomomi Shimazaki","orcid":"https://orcid.org/0000-0001-8707-6056"},"institutions":[{"id":"https://openalex.org/I4210129730","display_name":"RIKEN Center for Computational Science","ror":"https://ror.org/03r519674","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4210110652","https://openalex.org/I4210129730"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Tomomi Shimazaki","raw_affiliation_strings":["RIKEN Advanced Institute for Computational Science, Kobe, Hyogo, Japan"],"affiliations":[{"raw_affiliation_string":"RIKEN Advanced Institute for Computational Science, Kobe, Hyogo, Japan","institution_ids":["https://openalex.org/I4210129730"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042340543","display_name":"Masatomo Hashimoto","orcid":"https://orcid.org/0000-0003-2317-3812"},"institutions":[{"id":"https://openalex.org/I4210129730","display_name":"RIKEN Center for Computational Science","ror":"https://ror.org/03r519674","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4210110652","https://openalex.org/I4210129730"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Masatomo Hashimoto","raw_affiliation_strings":["RIKEN Advanced Institute for Computational Science, Kobe, Hyogo, Japan"],"affiliations":[{"raw_affiliation_string":"RIKEN Advanced Institute for Computational Science, Kobe, Hyogo, Japan","institution_ids":["https://openalex.org/I4210129730"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087364915","display_name":"Toshiyuki Maeda","orcid":"https://orcid.org/0000-0002-1689-4833"},"institutions":[{"id":"https://openalex.org/I4210129730","display_name":"RIKEN Center for Computational Science","ror":"https://ror.org/03r519674","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4210110652","https://openalex.org/I4210129730"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Toshiyuki Maeda","raw_affiliation_strings":["RIKEN Advanced Institute for Computational Science, Kobe, Hyogo, Japan"],"affiliations":[{"raw_affiliation_string":"RIKEN Advanced Institute for Computational Science, Kobe, Hyogo, Japan","institution_ids":["https://openalex.org/I4210129730"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5075550076"],"corresponding_institution_ids":["https://openalex.org/I4210129730"],"apc_list":null,"apc_paid":null,"fwci":1.9379,"has_fulltext":true,"cited_by_count":12,"citation_normalized_percentile":{"value":0.86645039,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":null,"issue":null,"first_page":"9","last_page":"15"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9955000281333923,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T10682","display_name":"Quantum Computing Algorithms and Architecture","score":0.9891999959945679,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8244134783744812},{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.7991334199905396},{"id":"https://openalex.org/keywords/scripting-language","display_name":"Scripting language","score":0.7982995510101318},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.7668646574020386},{"id":"https://openalex.org/keywords/compiler","display_name":"Compiler","score":0.6369441151618958},{"id":"https://openalex.org/keywords/fortran","display_name":"Fortran","score":0.5704264640808105},{"id":"https://openalex.org/keywords/second-generation-programming-language","display_name":"Second-generation programming language","score":0.4767109751701355},{"id":"https://openalex.org/keywords/fourth-generation-programming-language","display_name":"Fourth-generation programming language","score":0.46014437079429626},{"id":"https://openalex.org/keywords/third-generation-programming-language","display_name":"Third-generation programming language","score":0.458320289850235},{"id":"https://openalex.org/keywords/high-level-programming-language","display_name":"High-level programming language","score":0.42792195081710815},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.4253196716308594},{"id":"https://openalex.org/keywords/fifth-generation-programming-language","display_name":"Fifth-generation programming language","score":0.42332953214645386},{"id":"https://openalex.org/keywords/programming-paradigm","display_name":"Programming paradigm","score":0.34819674491882324},{"id":"https://openalex.org/keywords/inductive-programming","display_name":"Inductive programming","score":0.1614910066127777},{"id":"https://openalex.org/keywords/functional-logic-programming","display_name":"Functional logic programming","score":0.13616234064102173}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8244134783744812},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.7991334199905396},{"id":"https://openalex.org/C61423126","wikidata":"https://www.wikidata.org/wiki/Q187432","display_name":"Scripting language","level":2,"score":0.7982995510101318},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.7668646574020386},{"id":"https://openalex.org/C169590947","wikidata":"https://www.wikidata.org/wiki/Q47506","display_name":"Compiler","level":2,"score":0.6369441151618958},{"id":"https://openalex.org/C2778241615","wikidata":"https://www.wikidata.org/wiki/Q83303","display_name":"Fortran","level":2,"score":0.5704264640808105},{"id":"https://openalex.org/C11164408","wikidata":"https://www.wikidata.org/wiki/Q18657800","display_name":"Second-generation programming language","level":4,"score":0.4767109751701355},{"id":"https://openalex.org/C145628200","wikidata":"https://www.wikidata.org/wiki/Q238137","display_name":"Fourth-generation programming language","level":5,"score":0.46014437079429626},{"id":"https://openalex.org/C206146517","wikidata":"https://www.wikidata.org/wiki/Q1294375","display_name":"Third-generation programming language","level":5,"score":0.458320289850235},{"id":"https://openalex.org/C19024347","wikidata":"https://www.wikidata.org/wiki/Q211496","display_name":"High-level programming language","level":3,"score":0.42792195081710815},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.4253196716308594},{"id":"https://openalex.org/C199305712","wikidata":"https://www.wikidata.org/wiki/Q3205914","display_name":"Fifth-generation programming language","level":3,"score":0.42332953214645386},{"id":"https://openalex.org/C34165917","wikidata":"https://www.wikidata.org/wiki/Q188267","display_name":"Programming paradigm","level":2,"score":0.34819674491882324},{"id":"https://openalex.org/C50033165","wikidata":"https://www.wikidata.org/wiki/Q15712089","display_name":"Inductive programming","level":3,"score":0.1614910066127777},{"id":"https://openalex.org/C96315309","wikidata":"https://www.wikidata.org/wiki/Q5508829","display_name":"Functional logic programming","level":4,"score":0.13616234064102173}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/2830168.2830170","is_oa":true,"landing_page_url":"https://doi.org/10.1145/2830168.2830170","pdf_url":"http://dl.acm.org/ft_gateway.cfm?id=2830170&type=pdf","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 3rd International Workshop on Software Engineering for High Performance Computing in Computational Science and Engineering","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.1145/2830168.2830170","is_oa":true,"landing_page_url":"https://doi.org/10.1145/2830168.2830170","pdf_url":"http://dl.acm.org/ft_gateway.cfm?id=2830170&type=pdf","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 3rd International Workshop on Software Engineering for High Performance Computing in Computational Science and Engineering","raw_type":"proceedings-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2294082838.pdf","grobid_xml":"https://content.openalex.org/works/W2294082838.grobid-xml"},"referenced_works_count":14,"referenced_works":["https://openalex.org/W620132120","https://openalex.org/W1965092590","https://openalex.org/W1981491642","https://openalex.org/W1986046053","https://openalex.org/W1990075277","https://openalex.org/W2009900619","https://openalex.org/W2019465613","https://openalex.org/W2029403235","https://openalex.org/W2042254704","https://openalex.org/W2079707589","https://openalex.org/W2081789356","https://openalex.org/W2100044779","https://openalex.org/W2155022709","https://openalex.org/W4382811690"],"related_works":["https://openalex.org/W2048019999","https://openalex.org/W1492399798","https://openalex.org/W2997582482","https://openalex.org/W193760817","https://openalex.org/W2992604793","https://openalex.org/W2018696645","https://openalex.org/W3015587606","https://openalex.org/W2001189761","https://openalex.org/W4312466683","https://openalex.org/W2361763985"],"abstract_inverted_index":{"We":[0],"discuss":[1],"the":[2,80],"use":[3,48],"of":[4,32,44,47,82],"dynamic":[5],"programming":[6,23,93],"languages":[7,37,54],"such":[8,38],"as":[9,39],"Python":[10],"to":[11,60,78,90],"develop":[12],"first-principles":[13],"quantum":[14,73],"chemistry":[15,74],"programs":[16],"for":[17],"high-performance":[18],"computing":[19],"environments.":[20],"Dynamic":[21],"scripting":[22],"languages,":[24],"in":[25,30],"general,":[26],"have":[27,55],"distinct":[28],"advantages":[29,58],"terms":[31],"developer":[33],"productivity":[34],"over":[35],"compiled":[36],"C/C++":[40],"and":[41,49],"Fortran,":[42],"because":[43],"their":[45,61],"ease":[46],"extensive":[50],"libraries.":[51],"Such":[52],"\"static\"":[53],"clear":[56],"performance":[57],"due":[59],"optimizing":[62],"compilers.":[63],"In":[64],"particular,":[65],"we":[66],"report":[67],"on":[68],"our":[69],"experience":[70],"developing":[71],"a":[72],"program":[75],"that":[76],"attempts":[77],"combine":[79],"best":[81],"both":[83],"worlds":[84],"by":[85],"using":[86],"language":[87],"binding":[88],"techniques":[89],"bridge":[91],"different":[92],"languages.":[94]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":2},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}