{"id":"https://openalex.org/W2520258812","doi":"https://doi.org/10.1002/jcc.24483","title":"Horizontal vectorization of electron repulsion integrals","display_name":"Horizontal vectorization of electron repulsion integrals","publication_year":2016,"publication_date":"2016-09-13","ids":{"openalex":"https://openalex.org/W2520258812","doi":"https://doi.org/10.1002/jcc.24483","mag":"2520258812","pmid":"https://pubmed.ncbi.nlm.nih.gov/27620865"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.24483","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.24483","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5001430397","display_name":"Benjamin P. Pritchard","orcid":"https://orcid.org/0000-0003-2136-0606"},"institutions":[{"id":"https://openalex.org/I130701444","display_name":"Georgia Institute of Technology","ror":"https://ror.org/01zkghx44","country_code":"US","type":"education","lineage":["https://openalex.org/I130701444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Benjamin P. Pritchard","raw_affiliation_strings":["School of Computational Science and Engineering, Georgia Institute of Technology 266 Ferst Drive Atlanta Georgia 30332\u20100765","School of Computational Science and Engineering, Georgia Institute of Technology, 266 Ferst Drive, Atlanta, Georgia, 30332-0765"],"affiliations":[{"raw_affiliation_string":"School of Computational Science and Engineering, Georgia Institute of Technology 266 Ferst Drive Atlanta Georgia 30332\u20100765","institution_ids":["https://openalex.org/I130701444"]},{"raw_affiliation_string":"School of Computational Science and Engineering, Georgia Institute of Technology, 266 Ferst Drive, Atlanta, Georgia, 30332-0765","institution_ids":["https://openalex.org/I130701444"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039834058","display_name":"Edmond Chow","orcid":"https://orcid.org/0000-0003-0474-3752"},"institutions":[{"id":"https://openalex.org/I130701444","display_name":"Georgia Institute of Technology","ror":"https://ror.org/01zkghx44","country_code":"US","type":"education","lineage":["https://openalex.org/I130701444"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Edmond Chow","raw_affiliation_strings":["School of Computational Science and Engineering, Georgia Institute of Technology 266 Ferst Drive Atlanta Georgia 30332\u20100765","School of Computational Science and Engineering, Georgia Institute of Technology, 266 Ferst Drive, Atlanta, Georgia, 30332-0765"],"affiliations":[{"raw_affiliation_string":"School of Computational Science and Engineering, Georgia Institute of Technology 266 Ferst Drive Atlanta Georgia 30332\u20100765","institution_ids":["https://openalex.org/I130701444"]},{"raw_affiliation_string":"School of Computational Science and Engineering, Georgia Institute of Technology, 266 Ferst Drive, Atlanta, Georgia, 30332-0765","institution_ids":["https://openalex.org/I130701444"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5039834058"],"corresponding_institution_ids":["https://openalex.org/I130701444"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":3.6688,"has_fulltext":false,"cited_by_count":38,"citation_normalized_percentile":{"value":0.93597881,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"37","issue":"28","first_page":"2537","last_page":"2546"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10048","display_name":"Particle physics theoretical and experimental studies","score":0.9832000136375427,"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/T10048","display_name":"Particle physics theoretical and experimental studies","score":0.9832000136375427,"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/T11181","display_name":"Advanced Data Storage Technologies","score":0.9569000005722046,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"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/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9552000164985657,"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/vectorization","display_name":"Vectorization (mathematics)","score":0.858347475528717},{"id":"https://openalex.org/keywords/electron","display_name":"Electron","score":0.5321081876754761},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3722143769264221},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.35477355122566223},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3545653223991394},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3511774241924286},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.14975804090499878},{"id":"https://openalex.org/keywords/nuclear-physics","display_name":"Nuclear physics","score":0.12858739495277405}],"concepts":[{"id":"https://openalex.org/C41681595","wikidata":"https://www.wikidata.org/wiki/Q7917855","display_name":"Vectorization (mathematics)","level":2,"score":0.858347475528717},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.5321081876754761},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3722143769264221},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.35477355122566223},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3545653223991394},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3511774241924286},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.14975804090499878},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.12858739495277405}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.24483","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.24483","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmid:27620865","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/27620865","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computational chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W1434655822","https://openalex.org/W1495478173","https://openalex.org/W1524643868","https://openalex.org/W1975180250","https://openalex.org/W1979137986","https://openalex.org/W1979722129","https://openalex.org/W1981655171","https://openalex.org/W1984549626","https://openalex.org/W1985122440","https://openalex.org/W1985212850","https://openalex.org/W1995624711","https://openalex.org/W2011398021","https://openalex.org/W2016293616","https://openalex.org/W2017832861","https://openalex.org/W2027786424","https://openalex.org/W2029228724","https://openalex.org/W2044682544","https://openalex.org/W2050471033","https://openalex.org/W2052337548","https://openalex.org/W2054510591","https://openalex.org/W2057061175","https://openalex.org/W2069006374","https://openalex.org/W2073972481","https://openalex.org/W2086227856","https://openalex.org/W2094895233","https://openalex.org/W2102645362","https://openalex.org/W2140194683","https://openalex.org/W2141191373","https://openalex.org/W2155417823","https://openalex.org/W2155742788","https://openalex.org/W2168299072","https://openalex.org/W2290865785","https://openalex.org/W2333743632","https://openalex.org/W2490094316","https://openalex.org/W2499071604"],"related_works":["https://openalex.org/W2935759653","https://openalex.org/W3105167352","https://openalex.org/W54078636","https://openalex.org/W2954470139","https://openalex.org/W1501425562","https://openalex.org/W2902782467","https://openalex.org/W3084825885","https://openalex.org/W2298861036","https://openalex.org/W3148032049","https://openalex.org/W2271181815"],"abstract_inverted_index":{"We":[0],"present":[1],"an":[2],"efficient":[3],"implementation":[4],"of":[5,12,61,63],"the":[6,10,46,59,64,99],"Obara-Saika":[7,92],"algorithm":[8],"for":[9,70,87],"computation":[11],"electron":[13],"repulsion":[14],"integrals":[15,24],"that":[16],"utilizes":[17],"vector":[18],"intrinsics":[19],"to":[20,55,58],"calculate":[21],"several":[22],"primitive":[23],"concurrently":[25],"in":[26],"a":[27,33,82],"SIMD":[28],"vector.":[29],"Initial":[30],"benchmarks":[31],"display":[32],"2-4":[34],"times":[35],"speedup":[36],"with":[37],"AVX":[38],"instructions":[39],"over":[40,50],"comparable":[41],"scalar":[42,51],"code,":[43],"depending":[44],"on":[45],"basis":[47,65],"set.":[48],"Speedup":[49],"code":[52],"is":[53,68,96],"found":[54],"be":[56],"sensitive":[57],"level":[60],"contraction":[62],"set,":[66],"and":[67,98,104],"best":[69],"(lAlB|lClD)":[71],"quartets":[72],"when":[73],"lD":[74],"=":[75],"0":[76],"or":[77],"lB=lD=0,":[78],"which":[79],"makes":[80],"such":[81],"vectorization":[83],"scheme":[84],"particularly":[85],"suitable":[86],"density":[88],"fitting.":[89],"The":[90],"basic":[91],"algorithm,":[93],"how":[94],"it":[95],"vectorized,":[97],"performance":[100],"bottlenecks":[101],"are":[102],"analyzed":[103],"discussed.":[105],"\u00a9":[106],"2016":[107],"Wiley":[108],"Periodicals,":[109],"Inc.":[110]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":12},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":3}],"updated_date":"2026-02-01T03:34:12.195049","created_date":"2025-10-10T00:00:00"}
