{"id":"https://openalex.org/W2000206972","doi":"https://doi.org/10.1016/0167-739x(95)00014-j","title":"Parallel computing in quantum chemistry \u2014 Message passing and beyond for a general ab initio program system","display_name":"Parallel computing in quantum chemistry \u2014 Message passing and beyond for a general ab initio program system","publication_year":1995,"publication_date":"1995-08-01","ids":{"openalex":"https://openalex.org/W2000206972","doi":"https://doi.org/10.1016/0167-739x(95)00014-j","mag":"2000206972"},"language":"en","primary_location":{"id":"doi:10.1016/0167-739x(95)00014-j","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0167-739x(95)00014-j","pdf_url":null,"source":{"id":"https://openalex.org/S186357190","display_name":"Future Generation Computer Systems","issn_l":"0167-739X","issn":["0167-739X","1872-7115"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Future Generation Computer Systems","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.osti.gov/biblio/81066","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5063314829","display_name":"Hans Lischka","orcid":"https://orcid.org/0000-0002-5656-3975"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Hans Lischka","raw_affiliation_strings":["Institut f\u00fcr Theoretische Chemie und Strahlenchemie, University of Vienna, Vienna, Austria","Univ. of Vienna#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut f\u00fcr Theoretische Chemie und Strahlenchemie, University of Vienna, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]},{"raw_affiliation_string":"Univ. of Vienna#TAB#","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078640630","display_name":"Holger Dachsel","orcid":null},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Holger Dachsel","raw_affiliation_strings":["Institut f\u00fcr Theoretische Chemie und Strahlenchemie, University of Vienna, Vienna, Austria","Univ. of Vienna#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut f\u00fcr Theoretische Chemie und Strahlenchemie, University of Vienna, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]},{"raw_affiliation_string":"Univ. of Vienna#TAB#","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044715847","display_name":"Ron Shepard","orcid":"https://orcid.org/0000-0002-0272-0824"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ron Shepard","raw_affiliation_strings":["Argonne National Laboratory, Argonne IL, USA","argonne national laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Argonne National Laboratory, Argonne IL, USA","institution_ids":["https://openalex.org/I1282105669"]},{"raw_affiliation_string":"argonne national laboratory","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5010174060","display_name":"Robert J. Harrison","orcid":"https://orcid.org/0000-0002-8777-7466"},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Robert J. Harrison","raw_affiliation_strings":["Pacific Northwest Laboratory, Richland WA, USA","[Pacific Northwest Laboratory]"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest Laboratory, Richland WA, USA","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"[Pacific Northwest Laboratory]","institution_ids":["https://openalex.org/I142606810"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5063314829"],"corresponding_institution_ids":["https://openalex.org/I129774422"],"apc_list":{"value":3340,"currency":"USD","value_usd":3340},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.07899283,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":95},"biblio":{"volume":"11","issue":"4-5","first_page":"445","last_page":"450"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9979000091552734,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9979000091552734,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.9970999956130981,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.996999979019165,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8899217844009399},{"id":"https://openalex.org/keywords/message-passing","display_name":"Message passing","score":0.7618049383163452},{"id":"https://openalex.org/keywords/asynchronous-communication","display_name":"Asynchronous communication","score":0.7014011740684509},{"id":"https://openalex.org/keywords/benchmark","display_name":"Benchmark (surveying)","score":0.661850094795227},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.536414384841919},{"id":"https://openalex.org/keywords/scheme","display_name":"Scheme (mathematics)","score":0.5017151832580566},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.45481905341148376},{"id":"https://openalex.org/keywords/computer-network","display_name":"Computer network","score":0.09242668747901917},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.07162100076675415}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8899217844009399},{"id":"https://openalex.org/C854659","wikidata":"https://www.wikidata.org/wiki/Q1859284","display_name":"Message passing","level":2,"score":0.7618049383163452},{"id":"https://openalex.org/C151319957","wikidata":"https://www.wikidata.org/wiki/Q752739","display_name":"Asynchronous communication","level":2,"score":0.7014011740684509},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.661850094795227},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.536414384841919},{"id":"https://openalex.org/C77618280","wikidata":"https://www.wikidata.org/wiki/Q1155772","display_name":"Scheme (mathematics)","level":2,"score":0.5017151832580566},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.45481905341148376},{"id":"https://openalex.org/C31258907","wikidata":"https://www.wikidata.org/wiki/Q1301371","display_name":"Computer network","level":1,"score":0.09242668747901917},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.07162100076675415},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C13280743","wikidata":"https://www.wikidata.org/wiki/Q131089","display_name":"Geodesy","level":1,"score":0.0},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1016/0167-739x(95)00014-j","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0167-739x(95)00014-j","pdf_url":null,"source":{"id":"https://openalex.org/S186357190","display_name":"Future Generation Computer Systems","issn_l":"0167-739X","issn":["0167-739X","1872-7115"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Future Generation Computer Systems","raw_type":"journal-article"},{"id":"pmh:info:ark/67531/metadc739940","is_oa":false,"landing_page_url":"https://digital.library.unt.edu/ark:/67531/metadc739940/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400792","display_name":"University of North Texas Digital Library (University of North Texas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I123534392","host_organization_name":"University of North Texas","host_organization_lineage":["https://openalex.org/I123534392"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"207. spring national meeting of the American Chemical Society (ACS), San Diego, CA (United States), 13-18 Mar 1994","raw_type":"Article"},{"id":"pmh:oai:osti.gov:81066","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/81066","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":{"id":"pmh:oai:osti.gov:81066","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/81066","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.4699999988079071}],"awards":[],"funders":[{"id":"https://openalex.org/F4320338284","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":25,"referenced_works":["https://openalex.org/W1491474850","https://openalex.org/W1572505298","https://openalex.org/W1982540597","https://openalex.org/W1983935132","https://openalex.org/W2001499158","https://openalex.org/W2002257715","https://openalex.org/W2003975584","https://openalex.org/W2004225643","https://openalex.org/W2009596258","https://openalex.org/W2014826697","https://openalex.org/W2022950330","https://openalex.org/W2025262868","https://openalex.org/W2029944860","https://openalex.org/W2032719537","https://openalex.org/W2038469228","https://openalex.org/W2048020586","https://openalex.org/W2060233106","https://openalex.org/W2063823491","https://openalex.org/W2083858276","https://openalex.org/W2094245791","https://openalex.org/W2097592204","https://openalex.org/W2110256578","https://openalex.org/W2126191867","https://openalex.org/W2170249130","https://openalex.org/W2499430692"],"related_works":["https://openalex.org/W2378211422","https://openalex.org/W2745001401","https://openalex.org/W4321353415","https://openalex.org/W2116677773","https://openalex.org/W2135714282","https://openalex.org/W1690000972","https://openalex.org/W1595373702","https://openalex.org/W2098482419","https://openalex.org/W4254638342","https://openalex.org/W2054468904"],"abstract_inverted_index":null,"counts_by_year":[{"year":2021,"cited_by_count":2}],"updated_date":"2026-05-05T08:41:31.759640","created_date":"2025-10-10T00:00:00"}
