{"id":"https://openalex.org/W4396814950","doi":"https://doi.org/10.23919/isc.2024.10528945","title":"Solving Millions of Eigenvectors in Large-Scale Quantum-Many-Body-Theory Computations","display_name":"Solving Millions of Eigenvectors in Large-Scale Quantum-Many-Body-Theory Computations","publication_year":2024,"publication_date":"2024-05-01","ids":{"openalex":"https://openalex.org/W4396814950","doi":"https://doi.org/10.23919/isc.2024.10528945"},"language":"en","primary_location":{"id":"doi:10.23919/isc.2024.10528945","is_oa":true,"landing_page_url":"https://doi.org/10.23919/isc.2024.10528945","pdf_url":"https://ieeexplore.ieee.org/ielx7/10528919/10528920/10528945.pdf","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ISC High Performance 2024 Research Paper Proceedings (39th International Conference)","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://ieeexplore.ieee.org/ielx7/10528919/10528920/10528945.pdf","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5071411016","display_name":"Alexey Tal","orcid":"https://orcid.org/0000-0002-2216-9283"},"institutions":[{"id":"https://openalex.org/I4210145860","display_name":"VASP Software (Austria)","ror":"https://ror.org/03gw47g69","country_code":"AT","type":"company","lineage":["https://openalex.org/I4210145860"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Alexey Tal","raw_affiliation_strings":["VASP Software GmbH,Vienna,Austria","VASP Software GmbH, Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"VASP Software GmbH,Vienna,Austria","institution_ids":["https://openalex.org/I4210145860"]},{"raw_affiliation_string":"VASP Software GmbH, Vienna, Austria","institution_ids":["https://openalex.org/I4210145860"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046125170","display_name":"Martijn Marsman","orcid":"https://orcid.org/0000-0002-7926-1566"},"institutions":[{"id":"https://openalex.org/I4210145860","display_name":"VASP Software (Austria)","ror":"https://ror.org/03gw47g69","country_code":"AT","type":"company","lineage":["https://openalex.org/I4210145860"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Martijn Marsman","raw_affiliation_strings":["VASP Software GmbH,Vienna,Austria","VASP Software GmbH, Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"VASP Software GmbH,Vienna,Austria","institution_ids":["https://openalex.org/I4210145860"]},{"raw_affiliation_string":"VASP Software GmbH, Vienna, Austria","institution_ids":["https://openalex.org/I4210145860"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019751186","display_name":"Georg Kresse","orcid":"https://orcid.org/0000-0001-9102-4259"},"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":"Georg Kresse","raw_affiliation_strings":["University of Vienna,Vienna,Austria","University of Vienna, Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"University of Vienna,Vienna,Austria","institution_ids":["https://openalex.org/I129774422"]},{"raw_affiliation_string":"University of Vienna, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005362245","display_name":"Anton Anders","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":"Anton Anders","raw_affiliation_strings":["NVIDIA,Santa Clara,CA,USA","NVIDIA, Santa Clara, CA, USA"],"affiliations":[{"raw_affiliation_string":"NVIDIA,Santa Clara,CA,USA","institution_ids":["https://openalex.org/I4210127875"]},{"raw_affiliation_string":"NVIDIA, Santa Clara, CA, USA","institution_ids":["https://openalex.org/I4210127875"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090878992","display_name":"Samuel Rodr\u00edguez","orcid":"https://orcid.org/0000-0002-5869-3896"},"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":"Samuel Rodriguez","raw_affiliation_strings":["NVIDIA,Santa Clara,CA,USA","NVIDIA, Santa Clara, CA, USA"],"affiliations":[{"raw_affiliation_string":"NVIDIA,Santa Clara,CA,USA","institution_ids":["https://openalex.org/I4210127875"]},{"raw_affiliation_string":"NVIDIA, Santa Clara, CA, USA","institution_ids":["https://openalex.org/I4210127875"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076399048","display_name":"Kyungjoo Kim","orcid":"https://orcid.org/0000-0003-1241-1934"},"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"]},{"id":"https://openalex.org/I1304085615","display_name":"Nvidia (United Kingdom)","ror":"https://ror.org/02kr42612","country_code":"GB","type":"company","lineage":["https://openalex.org/I1304085615","https://openalex.org/I4210127875"]},{"id":"https://openalex.org/I4210129359","display_name":"National Dance Institute of New Mexico","ror":"https://ror.org/049sa5a53","country_code":"US","type":"education","lineage":["https://openalex.org/I4210129359"]}],"countries":["GB","US"],"is_corresponding":false,"raw_author_name":"Kyungjoo Kim","raw_affiliation_strings":["NVIDIA,Albuquerque,NM,USA","NVIDIA, Albuquerque, NM, USA"],"affiliations":[{"raw_affiliation_string":"NVIDIA,Albuquerque,NM,USA","institution_ids":["https://openalex.org/I1304085615","https://openalex.org/I4210127875","https://openalex.org/I4210129359"]},{"raw_affiliation_string":"NVIDIA, Albuquerque, NM, USA","institution_ids":["https://openalex.org/I4210127875"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001758717","display_name":"\u0410. \u041c. \u041a\u0430\u043b\u0438\u043d\u043a\u0438\u043d","orcid":"https://orcid.org/0000-0002-3668-8578"},"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":"Alexander Kalinkin","raw_affiliation_strings":["NVIDIA,Santa Clara,CA,USA","NVIDIA, Santa Clara, CA, USA"],"affiliations":[{"raw_affiliation_string":"NVIDIA,Santa Clara,CA,USA","institution_ids":["https://openalex.org/I4210127875"]},{"raw_affiliation_string":"NVIDIA, Santa Clara, CA, USA","institution_ids":["https://openalex.org/I4210127875"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112587002","display_name":"Alexey Romanenko","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Alexey Romanenko","raw_affiliation_strings":["NVIDIA,Yerevan,Armenia","NVIDIA, Yerevan, Armenia"],"affiliations":[{"raw_affiliation_string":"NVIDIA,Yerevan,Armenia","institution_ids":[]},{"raw_affiliation_string":"NVIDIA, Yerevan, Armenia","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090060060","display_name":"Matthias Noack","orcid":null},"institutions":[{"id":"https://openalex.org/I1304085615","display_name":"Nvidia (United Kingdom)","ror":"https://ror.org/02kr42612","country_code":"GB","type":"company","lineage":["https://openalex.org/I1304085615","https://openalex.org/I4210127875"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Matthias Noack","raw_affiliation_strings":["NVIDIA,Berlin,Germany","NVIDIA, Berlin, Germany"],"affiliations":[{"raw_affiliation_string":"NVIDIA,Berlin,Germany","institution_ids":["https://openalex.org/I1304085615"]},{"raw_affiliation_string":"NVIDIA, Berlin, Germany","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101968810","display_name":"Patrick Atkinson","orcid":"https://orcid.org/0000-0003-2451-5976"},"institutions":[{"id":"https://openalex.org/I1304085615","display_name":"Nvidia (United Kingdom)","ror":"https://ror.org/02kr42612","country_code":"GB","type":"company","lineage":["https://openalex.org/I1304085615","https://openalex.org/I4210127875"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Patrick Atkinson","raw_affiliation_strings":["NVIDIA,Bristol,UK","NVIDIA, Bristol, UK"],"affiliations":[{"raw_affiliation_string":"NVIDIA,Bristol,UK","institution_ids":["https://openalex.org/I1304085615"]},{"raw_affiliation_string":"NVIDIA, Bristol, UK","institution_ids":["https://openalex.org/I1304085615"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5009878154","display_name":"Stefan Maintz","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Stefan Maintz","raw_affiliation_strings":["NVIDIA,Zurich,Switzerland","NVIDIA, Zurich, Switzerland"],"affiliations":[{"raw_affiliation_string":"NVIDIA,Zurich,Switzerland","institution_ids":[]},{"raw_affiliation_string":"NVIDIA, Zurich, Switzerland","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":11,"corresponding_author_ids":["https://openalex.org/A5071411016"],"corresponding_institution_ids":["https://openalex.org/I4210145860"],"apc_list":null,"apc_paid":null,"fwci":0.3687,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.5482923,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"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/T11804","display_name":"Quantum many-body systems","score":0.9983000159263611,"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/T10037","display_name":"Physics of Superconductivity and Magnetism","score":0.9821000099182129,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6625146269798279},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.6513388156890869},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.613408625125885},{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.6077943444252014},{"id":"https://openalex.org/keywords/scale","display_name":"Scale (ratio)","score":0.5614477396011353},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.5029966235160828},{"id":"https://openalex.org/keywords/quantum-computer","display_name":"Quantum computer","score":0.5013608932495117},{"id":"https://openalex.org/keywords/eigenvalues-and-eigenvectors","display_name":"Eigenvalues and eigenvectors","score":0.46826010942459106},{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.4237048625946045},{"id":"https://openalex.org/keywords/workload","display_name":"Workload","score":0.4178791642189026},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.259219229221344},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.15645107626914978},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.12026405334472656}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6625146269798279},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.6513388156890869},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.613408625125885},{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.6077943444252014},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.5614477396011353},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.5029966235160828},{"id":"https://openalex.org/C58053490","wikidata":"https://www.wikidata.org/wiki/Q176555","display_name":"Quantum computer","level":3,"score":0.5013608932495117},{"id":"https://openalex.org/C158693339","wikidata":"https://www.wikidata.org/wiki/Q190524","display_name":"Eigenvalues and eigenvectors","level":2,"score":0.46826010942459106},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.4237048625946045},{"id":"https://openalex.org/C2778476105","wikidata":"https://www.wikidata.org/wiki/Q628539","display_name":"Workload","level":2,"score":0.4178791642189026},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.259219229221344},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.15645107626914978},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.12026405334472656},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.23919/isc.2024.10528945","is_oa":true,"landing_page_url":"https://doi.org/10.23919/isc.2024.10528945","pdf_url":"https://ieeexplore.ieee.org/ielx7/10528919/10528920/10528945.pdf","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ISC High Performance 2024 Research Paper Proceedings (39th International Conference)","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.23919/isc.2024.10528945","is_oa":true,"landing_page_url":"https://doi.org/10.23919/isc.2024.10528945","pdf_url":"https://ieeexplore.ieee.org/ielx7/10528919/10528920/10528945.pdf","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ISC High Performance 2024 Research Paper Proceedings (39th International Conference)","raw_type":"proceedings-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.8899999856948853,"display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4396814950.pdf"},"referenced_works_count":38,"referenced_works":["https://openalex.org/W44492739","https://openalex.org/W106544777","https://openalex.org/W1857725693","https://openalex.org/W1947869163","https://openalex.org/W1949679789","https://openalex.org/W1968379930","https://openalex.org/W2007395042","https://openalex.org/W2026444402","https://openalex.org/W2029204743","https://openalex.org/W2039599184","https://openalex.org/W2054188927","https://openalex.org/W2073260424","https://openalex.org/W2073727874","https://openalex.org/W2079105963","https://openalex.org/W2083154122","https://openalex.org/W2083222334","https://openalex.org/W2148678374","https://openalex.org/W2149381887","https://openalex.org/W2213274841","https://openalex.org/W2223847291","https://openalex.org/W2735864756","https://openalex.org/W2983126917","https://openalex.org/W3007543653","https://openalex.org/W3019563245","https://openalex.org/W3045599769","https://openalex.org/W3101684822","https://openalex.org/W3104872052","https://openalex.org/W3105583792","https://openalex.org/W3130633370","https://openalex.org/W3147596910","https://openalex.org/W4229666556","https://openalex.org/W4231150350","https://openalex.org/W4236367156","https://openalex.org/W4293007197","https://openalex.org/W4311376748","https://openalex.org/W4313897918","https://openalex.org/W4317399033","https://openalex.org/W4394820582"],"related_works":["https://openalex.org/W2384867379","https://openalex.org/W4400094300","https://openalex.org/W2329539859","https://openalex.org/W2227905990","https://openalex.org/W2765823764","https://openalex.org/W3214280620","https://openalex.org/W3191490922","https://openalex.org/W1582436825","https://openalex.org/W1996803181","https://openalex.org/W2979588510"],"abstract_inverted_index":{"We":[0],"present":[1],"large-scale":[2],"simulations":[3],"of":[4,24,90,96,118],"photovoltaics":[5],"materials":[6],"in":[7,51,105,127,132],"the":[8,22,57,76,97],"Vienna":[9],"Ab":[10],"initio":[11],"Simulation":[12],"Package":[13],"[1]":[14],"(VASP)":[15],"that":[16,34,53],"are":[17],"only":[18],"possible":[19],"by":[20],"pushing":[21],"boundaries":[23],"practically":[25],"solvable":[26],"eigenproblems.":[27],"Thus,":[28],"we":[29,45,93],"enable":[30],"analyses":[31],"for":[32,66],"semiconductors":[33],"were":[35],"inaccessible":[36],"within":[37],"state-of-the-art":[38],"predictive":[39],"methods":[40],"before.":[41],"To":[42],"achieve":[43],"this,":[44],"a)":[46],"implemented":[47],"a":[48,88],"distributed":[49],"eigensolver":[50],"cuSOLVERMp":[52],"fully":[54],"runs":[55],"on":[56,115,142],"GPU,":[58],"b)":[59],"adapted":[60],"VASP's":[61],"Bethe-Salpeter":[62],"Equation":[63],"(BSE)":[64],"algorithm":[65],"GPUs":[67,117],"and":[68,72,134],"to":[69,80,138],"employ":[70],"cuSOLVERMp,":[71],"c)":[73],"dramatically":[74],"improved":[75],"BSE":[77],"workload":[78],"distribution":[79],"yield":[81],"near":[82],"perfect":[83],"load-balancing":[84],"at":[85],"scale.":[86],"With":[87],"size":[89],"two":[91],"million,":[92],"solve":[94],"one":[95],"largest":[98],"dense,":[99],"complex":[100],"eigenproblems":[101],"reported":[102],"so":[103],"far":[104],"under":[106],"5":[107],"hours":[108],"sustaining":[109],"7.8":[110],"PFLOPS":[111],"using":[112],"34.5":[113],"GJ":[114],"4096":[116],"NVIDIA's":[119],"Selene":[120],"supercomputer.":[121],"Our":[122],"results":[123],"facilitate":[124],"new":[125],"breakthroughs":[126],"material":[128],"science.":[129],"These":[130],"improvements":[131],"compute":[133],"energy":[135],"efficiency":[136],"apply":[137],"other":[139],"domains":[140],"relying":[141],"solving":[143],"large":[144],"eigenproblems,":[145],"as":[146],"well.":[147]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
