{"id":"https://openalex.org/W2025316686","doi":"https://doi.org/10.1016/0097-8485(91)80027-j","title":"Vector optimization of amber 3.0 on the NEC SX-2/400 supercomputer","display_name":"Vector optimization of amber 3.0 on the NEC SX-2/400 supercomputer","publication_year":1991,"publication_date":"1991-01-01","ids":{"openalex":"https://openalex.org/W2025316686","doi":"https://doi.org/10.1016/0097-8485(91)80027-j","mag":"2025316686"},"language":"en","primary_location":{"id":"doi:10.1016/0097-8485(91)80027-j","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(91)80027-j","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers &amp; Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5023223877","display_name":"Michael Mitchell","orcid":"https://orcid.org/0000-0003-2052-7347"},"institutions":[{"id":"https://openalex.org/I44461941","display_name":"University of Houston","ror":"https://ror.org/048sx0r50","country_code":"US","type":"education","lineage":["https://openalex.org/I44461941"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Michael J. Mitchell","raw_affiliation_strings":["Department of Chemistry, University of Houston, Houston, TX 77204-5641, U.S.A","Department of Chemistry, University of Houston, Houston, TX 77204-5641 U.S.A"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Houston, Houston, TX 77204-5641, U.S.A","institution_ids":["https://openalex.org/I44461941"]},{"raw_affiliation_string":"Department of Chemistry, University of Houston, Houston, TX 77204-5641 U.S.A","institution_ids":["https://openalex.org/I44461941"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5015837947","display_name":"J. Andrew McCammon","orcid":"https://orcid.org/0000-0003-3065-1456"},"institutions":[{"id":"https://openalex.org/I44461941","display_name":"University of Houston","ror":"https://ror.org/048sx0r50","country_code":"US","type":"education","lineage":["https://openalex.org/I44461941"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"J.Andrew McCammon","raw_affiliation_strings":["Department of Chemistry, University of Houston, Houston, TX 77204-5641, U.S.A","Department of Chemistry, University of Houston, Houston, TX 77204-5641 U.S.A"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Houston, Houston, TX 77204-5641, U.S.A","institution_ids":["https://openalex.org/I44461941"]},{"raw_affiliation_string":"Department of Chemistry, University of Houston, Houston, TX 77204-5641 U.S.A","institution_ids":["https://openalex.org/I44461941"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5023223877"],"corresponding_institution_ids":["https://openalex.org/I44461941"],"apc_list":null,"apc_paid":null,"fwci":0.5431,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.78797765,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"15","issue":"1","first_page":"79","last_page":"85"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10093","display_name":"Nuclear physics research studies","score":0.982699990272522,"subfield":{"id":"https://openalex.org/subfields/3106","display_name":"Nuclear and High Energy Physics"},"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/T10093","display_name":"Nuclear physics research studies","score":0.982699990272522,"subfield":{"id":"https://openalex.org/subfields/3106","display_name":"Nuclear and High Energy Physics"},"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/T10597","display_name":"Nuclear reactor physics and engineering","score":0.9732000231742859,"subfield":{"id":"https://openalex.org/subfields/2202","display_name":"Aerospace Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.9699000120162964,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.924331545829773},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.7895785570144653},{"id":"https://openalex.org/keywords/vectorization","display_name":"Vectorization (mathematics)","score":0.7639957070350647},{"id":"https://openalex.org/keywords/compiler","display_name":"Compiler","score":0.7235056161880493},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.704109251499176},{"id":"https://openalex.org/keywords/fortran","display_name":"Fortran","score":0.6741520762443542},{"id":"https://openalex.org/keywords/subroutine","display_name":"Subroutine","score":0.6729515790939331},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.5369431972503662},{"id":"https://openalex.org/keywords/porting","display_name":"Porting","score":0.5260441303253174},{"id":"https://openalex.org/keywords/vector-processor","display_name":"Vector processor","score":0.4721486568450928},{"id":"https://openalex.org/keywords/program-optimization","display_name":"Program optimization","score":0.4570768475532532},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.2608731687068939},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.1749437153339386}],"concepts":[{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.924331545829773},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.7895785570144653},{"id":"https://openalex.org/C41681595","wikidata":"https://www.wikidata.org/wiki/Q7917855","display_name":"Vectorization (mathematics)","level":2,"score":0.7639957070350647},{"id":"https://openalex.org/C169590947","wikidata":"https://www.wikidata.org/wiki/Q47506","display_name":"Compiler","level":2,"score":0.7235056161880493},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.704109251499176},{"id":"https://openalex.org/C2778241615","wikidata":"https://www.wikidata.org/wiki/Q83303","display_name":"Fortran","level":2,"score":0.6741520762443542},{"id":"https://openalex.org/C96147967","wikidata":"https://www.wikidata.org/wiki/Q190686","display_name":"Subroutine","level":2,"score":0.6729515790939331},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.5369431972503662},{"id":"https://openalex.org/C106251023","wikidata":"https://www.wikidata.org/wiki/Q851989","display_name":"Porting","level":3,"score":0.5260441303253174},{"id":"https://openalex.org/C161824985","wikidata":"https://www.wikidata.org/wiki/Q919509","display_name":"Vector processor","level":2,"score":0.4721486568450928},{"id":"https://openalex.org/C139571649","wikidata":"https://www.wikidata.org/wiki/Q1156793","display_name":"Program optimization","level":3,"score":0.4570768475532532},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.2608731687068939},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.1749437153339386}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0097-8485(91)80027-j","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(91)80027-j","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers &amp; Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":12,"referenced_works":["https://openalex.org/W1979046104","https://openalex.org/W2011978005","https://openalex.org/W2025592635","https://openalex.org/W2044522970","https://openalex.org/W2049509090","https://openalex.org/W2066602627","https://openalex.org/W2068800353","https://openalex.org/W2075701764","https://openalex.org/W2083624153","https://openalex.org/W2138199172","https://openalex.org/W2155524113","https://openalex.org/W2168606024"],"related_works":["https://openalex.org/W2527434292","https://openalex.org/W4214860336","https://openalex.org/W2021345648","https://openalex.org/W2049794528","https://openalex.org/W35382565","https://openalex.org/W983046950","https://openalex.org/W2037577547","https://openalex.org/W2385549037","https://openalex.org/W34921319","https://openalex.org/W2062725817"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
