{"id":"https://openalex.org/W2983200159","doi":"https://doi.org/10.1145/3295500.3357157","title":"Fast, scalable and accurate finite-element based <i>ab initio</i> calculations using mixed precision computing","display_name":"Fast, scalable and accurate finite-element based <i>ab initio</i> calculations using mixed precision computing","publication_year":2019,"publication_date":"2019-11-07","ids":{"openalex":"https://openalex.org/W2983200159","doi":"https://doi.org/10.1145/3295500.3357157","mag":"2983200159"},"language":"en","primary_location":{"id":"doi:10.1145/3295500.3357157","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3295500.3357157","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.osti.gov/servlets/purl/1607141","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5065188032","display_name":"Sambit Das","orcid":"https://orcid.org/0000-0002-6356-6015"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan\u2013Ann Arbor","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Sambit Das","raw_affiliation_strings":["University of Michigan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Michigan","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053209270","display_name":"Phani Motamarri","orcid":"https://orcid.org/0000-0003-3160-7334"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan\u2013Ann Arbor","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Phani Motamarri","raw_affiliation_strings":["University of Michigan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Michigan","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006888181","display_name":"Vikram Gavini","orcid":"https://orcid.org/0000-0002-9451-2300"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan\u2013Ann Arbor","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Vikram Gavini","raw_affiliation_strings":["University of Michigan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Michigan","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003571769","display_name":"Bruno Turcksin","orcid":"https://orcid.org/0000-0001-5954-6313"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bruno Turcksin","raw_affiliation_strings":["Oak Ridge National Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060737716","display_name":"Ying Wai Li","orcid":"https://orcid.org/0000-0003-0124-8262"},"institutions":[{"id":"https://openalex.org/I1343871089","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I1343871089","https://openalex.org/I198811213","https://openalex.org/I4210120050"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ying Wai Li","raw_affiliation_strings":["Los Alamos National Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Los Alamos National Laboratory","institution_ids":["https://openalex.org/I1343871089"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5035725527","display_name":"Brent Leback","orcid":null},"institutions":[{"id":"https://openalex.org/I4210127875","display_name":"Nvidia (United States)","ror":"https://ror.org/03jdj4y14","country_code":"US","type":"company","lineage":["https://openalex.org/I4210127875"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Brent Leback","raw_affiliation_strings":["Nvidia Corporation"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Nvidia Corporation","institution_ids":["https://openalex.org/I4210127875"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5065188032"],"corresponding_institution_ids":["https://openalex.org/I27837315"],"apc_list":null,"apc_paid":null,"fwci":2.0092,"has_fulltext":true,"cited_by_count":47,"citation_normalized_percentile":{"value":0.86927563,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"11"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11661","display_name":"Copper Interconnects and Reliability","score":0.9979000091552734,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11661","display_name":"Copper Interconnects and Reliability","score":0.9979000091552734,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10377","display_name":"Metal and Thin Film Mechanics","score":0.9970999956130981,"subfield":{"id":"https://openalex.org/subfields/2211","display_name":"Mechanics of Materials"},"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/T10472","display_name":"Semiconductor materials and devices","score":0.9970999956130981,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.6601017713546753},{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.6386189460754395},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5933586955070496},{"id":"https://openalex.org/keywords/massively-parallel","display_name":"Massively parallel","score":0.581362247467041},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.5643784403800964},{"id":"https://openalex.org/keywords/scalability","display_name":"Scalability","score":0.5298091173171997},{"id":"https://openalex.org/keywords/computational-complexity-theory","display_name":"Computational complexity theory","score":0.4939880967140198},{"id":"https://openalex.org/keywords/finite-element-method","display_name":"Finite element method","score":0.4803001284599304},{"id":"https://openalex.org/keywords/discretization","display_name":"Discretization","score":0.43087708950042725},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.326696515083313},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.27542921900749207},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.23150089383125305},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.16850268840789795},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.14540228247642517}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6601017713546753},{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.6386189460754395},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5933586955070496},{"id":"https://openalex.org/C190475519","wikidata":"https://www.wikidata.org/wiki/Q544384","display_name":"Massively parallel","level":2,"score":0.581362247467041},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.5643784403800964},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.5298091173171997},{"id":"https://openalex.org/C179799912","wikidata":"https://www.wikidata.org/wiki/Q205084","display_name":"Computational complexity theory","level":2,"score":0.4939880967140198},{"id":"https://openalex.org/C135628077","wikidata":"https://www.wikidata.org/wiki/Q220184","display_name":"Finite element method","level":2,"score":0.4803001284599304},{"id":"https://openalex.org/C73000952","wikidata":"https://www.wikidata.org/wiki/Q17007827","display_name":"Discretization","level":2,"score":0.43087708950042725},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.326696515083313},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.27542921900749207},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.23150089383125305},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.16850268840789795},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.14540228247642517},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1145/3295500.3357157","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3295500.3357157","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},{"id":"pmh:oai:osti.gov:1607141","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1607141","pdf_url":"https://www.osti.gov/servlets/purl/1607141","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},{"id":"pmh:oai:osti.gov:1822698","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1822698","pdf_url":"https://www.osti.gov/servlets/purl/1822698","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:1607141","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1607141","pdf_url":"https://www.osti.gov/servlets/purl/1607141","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":[],"awards":[{"id":"https://openalex.org/G1071216263","display_name":null,"funder_award_id":"AC02-05CH11231","funder_id":"https://openalex.org/F4320332369","funder_display_name":"National Nuclear Security Administration"},{"id":"https://openalex.org/G1286236842","display_name":null,"funder_award_id":"-AC02-05CH11231","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G1314494723","display_name":null,"funder_award_id":"DE-AC02-05CH11231","funder_id":"https://openalex.org/F4320338281","funder_display_name":"Army Research Office"},{"id":"https://openalex.org/G1645119126","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G1677143136","display_name":null,"funder_award_id":"05CH11231","funder_id":"https://openalex.org/F4320317220","funder_display_name":"National Energy Research Scientific Computing Center"},{"id":"https://openalex.org/G1719536385","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2356915424","display_name":null,"funder_award_id":"89233218CNA000001","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G2777053550","display_name":null,"funder_award_id":"AC02-06CH11357","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2900453181","display_name":null,"funder_award_id":"DE-AC02-05CH11231","funder_id":"https://openalex.org/F4320332369","funder_display_name":"National Nuclear Security Administration"},{"id":"https://openalex.org/G3083819904","display_name":null,"funder_award_id":"05CH11231","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G3248584790","display_name":null,"funder_award_id":"DE-AC02-06CH11357","funder_id":"https://openalex.org/F4320338304","funder_display_name":"Los Alamos National Laboratory"},{"id":"https://openalex.org/G3310577945","display_name":null,"funder_award_id":"DE-AC02-05CH11231","funder_id":"https://openalex.org/F4320338279","funder_display_name":"Air Force Office of Scientific Research"},{"id":"https://openalex.org/G3318903820","display_name":null,"funder_award_id":"DE-AC02-06CH11357","funder_id":"https://openalex.org/F4320332369","funder_display_name":"National Nuclear Security Administration"},{"id":"https://openalex.org/G4327825534","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320332369","funder_display_name":"National Nuclear Security Administration"},{"id":"https://openalex.org/G4332105138","display_name":null,"funder_award_id":"-SC0008637","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G4369880951","display_name":null,"funder_award_id":"DE-SC0008637","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G4423657506","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G5076365615","display_name":null,"funder_award_id":"AC02-05CH11231","funder_id":"https://openalex.org/F4320317220","funder_display_name":"National Energy Research Scientific Computing Center"},{"id":"https://openalex.org/G5723425519","display_name":null,"funder_award_id":"DE-AC02-05CH11231","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G574648691","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G5840121450","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320338304","funder_display_name":"Los Alamos National Laboratory"},{"id":"https://openalex.org/G6131459415","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320338279","funder_display_name":"Air Force Office of Scientific Research"},{"id":"https://openalex.org/G6348972864","display_name":null,"funder_award_id":"AC02-05CH11231","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6558272803","display_name":null,"funder_award_id":"DE-AC02","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6848031779","display_name":null,"funder_award_id":"06CH11357","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6995210142","display_name":null,"funder_award_id":"89233218CNA000001","funder_id":"https://openalex.org/F4320332369","funder_display_name":"National Nuclear Security Administration"},{"id":"https://openalex.org/G7148947613","display_name":null,"funder_award_id":"DE-AC02-05CH11231","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G741291543","display_name":null,"funder_award_id":"DE-AC02-06CH11357","funder_id":"https://openalex.org/F4320338279","funder_display_name":"Air Force Office of Scientific Research"},{"id":"https://openalex.org/G7500863821","display_name":null,"funder_award_id":"89233218CNA000001","funder_id":"https://openalex.org/F4320338304","funder_display_name":"Los Alamos National Laboratory"},{"id":"https://openalex.org/G7651947074","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320317220","funder_display_name":"National Energy Research Scientific Computing Center"},{"id":"https://openalex.org/G7995982022","display_name":null,"funder_award_id":"DE-AC05","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8236890832","display_name":null,"funder_award_id":"DE-AC02-06CH11357","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G8286507625","display_name":null,"funder_award_id":"DE-AC02-06CH11357","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G8437677540","display_name":null,"funder_award_id":"DE-AC02-05CH11231","funder_id":"https://openalex.org/F4320338304","funder_display_name":"Los Alamos National Laboratory"},{"id":"https://openalex.org/G8659807574","display_name":null,"funder_award_id":"89233218CNA000001","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8906985441","display_name":null,"funder_award_id":"00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G969889393","display_name":null,"funder_award_id":"DE-AC02-","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320315934","display_name":"Toyota Research Institute","ror":null},{"id":"https://openalex.org/F4320317220","display_name":"National Energy Research Scientific Computing Center","ror":"https://ror.org/05v3mvq14"},{"id":"https://openalex.org/F4320332369","display_name":"National Nuclear Security Administration","ror":"https://ror.org/03sk1we31"},{"id":"https://openalex.org/F4320337547","display_name":"Laboratory Directed Research and Development","ror":"https://ror.org/01e41cf67"},{"id":"https://openalex.org/F4320338279","display_name":"Air Force Office of Scientific Research","ror":"https://ror.org/011e9bt93"},{"id":"https://openalex.org/F4320338281","display_name":"Army Research Office","ror":"https://ror.org/05epdh915"},{"id":"https://openalex.org/F4320338287","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56"},{"id":"https://openalex.org/F4320338304","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2983200159.pdf"},"referenced_works_count":47,"referenced_works":["https://openalex.org/W1544171083","https://openalex.org/W1695703141","https://openalex.org/W1810694562","https://openalex.org/W1965092590","https://openalex.org/W1978005976","https://openalex.org/W1979313559","https://openalex.org/W1981368803","https://openalex.org/W1985095956","https://openalex.org/W1987497701","https://openalex.org/W2002735620","https://openalex.org/W2003656569","https://openalex.org/W2021031315","https://openalex.org/W2030330123","https://openalex.org/W2032765250","https://openalex.org/W2038080797","https://openalex.org/W2061724428","https://openalex.org/W2066523269","https://openalex.org/W2070126925","https://openalex.org/W2073773252","https://openalex.org/W2076244894","https://openalex.org/W2083222334","https://openalex.org/W2098497669","https://openalex.org/W2129066756","https://openalex.org/W2148678374","https://openalex.org/W2156597786","https://openalex.org/W2160089699","https://openalex.org/W2160919049","https://openalex.org/W2230728100","https://openalex.org/W2518099942","https://openalex.org/W2531432880","https://openalex.org/W2562130663","https://openalex.org/W2757803490","https://openalex.org/W2785268262","https://openalex.org/W2788981612","https://openalex.org/W2802791016","https://openalex.org/W2899443725","https://openalex.org/W2916303624","https://openalex.org/W2950119333","https://openalex.org/W2966946570","https://openalex.org/W3015146707","https://openalex.org/W3098742437","https://openalex.org/W3101095095","https://openalex.org/W3121465581","https://openalex.org/W3150068761","https://openalex.org/W4238885544","https://openalex.org/W4247058190","https://openalex.org/W6726372349"],"related_works":["https://openalex.org/W2073684863","https://openalex.org/W1582436825","https://openalex.org/W2167527468","https://openalex.org/W2586370661","https://openalex.org/W2314053740","https://openalex.org/W1996803181","https://openalex.org/W2979588510","https://openalex.org/W2960681633","https://openalex.org/W1970113381","https://openalex.org/W2981892481"],"abstract_inverted_index":{"Accurate":[0],"large-scale":[1,85],"first":[2],"principles":[3],"calculations":[4,83],"based":[5],"on":[6,84,88,120],"density":[7],"functional":[8],"theory":[9],"(DFT)":[10],"in":[11,32,39,124],"metallic":[12,86],"systems":[13,87],"are":[14],"prohibitively":[15],"expensive":[16],"due":[17],"to":[18],"the":[19,51,60,65,70,138],"asymptotic":[20],"cubic":[21,55],"scaling":[22,56],"computational":[23,43,61],"complexity":[24],"with":[25,41,94],"number":[26],"of":[27,53,99,113,133],"electrons.":[28],"Using":[29],"algorithmic":[30],"advances":[31],"employing":[33],"finite-element":[34],"discretization":[35],"for":[36],"DFT":[37,82,105,143],"(DFT-FE)":[38],"conjunction":[40],"efficient":[42],"methodologies":[44],"and":[45,68,79,91],"mixed":[46],"precision":[47],"strategies,":[48],"we":[49],"delay":[50],"onset":[52],"this":[54],"by":[57],"significantly":[58],"reducing":[59],"prefactor":[62],"while":[63],"increasing":[64],"arithmetic":[66],"intensity":[67],"lowering":[69],"data":[71],"movement":[72],"costs.":[73],"This":[74],"has":[75],"enabled":[76],"fast,":[77],"accurate":[78],"massively":[80],"parallel":[81],"both":[89],"many-core":[90],"heterogeneous":[92],"architectures,":[93],"time-to-solution":[95],"being":[96],"an":[97,109],"order":[98],"magnitude":[100],"faster":[101],"than":[102],"state-of-the-art":[103],"plane-wave":[104],"codes.":[106,144],"We":[107],"demonstrate":[108],"unprecedented":[110],"sustained":[111],"performance":[112,140],"46":[114],"PFLOPS":[115],"(27.8%":[116],"peak":[117],"FP64":[118],"performance)":[119],"a":[121],"dislocation":[122],"system":[123],"Magnesium":[125],"containing":[126],"105,080":[127],"electrons":[128],"using":[129],"3,800":[130],"GPU":[131],"nodes":[132],"Summit":[134],"supercomputer,":[135],"which":[136],"is":[137],"highest":[139],"to-date":[141],"among":[142]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":10}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}
