{"id":"https://openalex.org/W2995506157","doi":"https://doi.org/10.1145/3368474.3368489","title":"Quantum Dynamics at Scale","display_name":"Quantum Dynamics at Scale","publication_year":2019,"publication_date":"2019-12-17","ids":{"openalex":"https://openalex.org/W2995506157","doi":"https://doi.org/10.1145/3368474.3368489","mag":"2995506157"},"language":"en","primary_location":{"id":"doi:10.1145/3368474.3368489","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3368474.3368489","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 on High Performance Computing in Asia-Pacific Region","raw_type":"proceedings-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/A5029654193","display_name":"Subodh Tiwari","orcid":"https://orcid.org/0000-0002-5516-6900"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Subodh C Tiwari","raw_affiliation_strings":["Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S"],"affiliations":[{"raw_affiliation_string":"Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091810223","display_name":"Aravind Krishnamoorthy","orcid":"https://orcid.org/0000-0001-6778-2471"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Aravind Krishnamoorthy","raw_affiliation_strings":["Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S"],"affiliations":[{"raw_affiliation_string":"Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058496452","display_name":"Pankaj Rajak","orcid":"https://orcid.org/0000-0002-6344-6056"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Pankaj Rajak","raw_affiliation_strings":["Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, IL, U.S"],"affiliations":[{"raw_affiliation_string":"Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, IL, U.S","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008393837","display_name":"Putt Sakdhnagool","orcid":"https://orcid.org/0000-0002-7925-0525"},"institutions":[{"id":"https://openalex.org/I1332092204","display_name":"National Science and Technology Development Agency","ror":"https://ror.org/04vy95b61","country_code":"TH","type":"government","lineage":["https://openalex.org/I1332092204"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Putt Sakdhnagool","raw_affiliation_strings":["NSTDA Supercomputer Center, National Science and Technology Development Agency, Pathum Thani, Thailand"],"affiliations":[{"raw_affiliation_string":"NSTDA Supercomputer Center, National Science and Technology Development Agency, Pathum Thani, Thailand","institution_ids":["https://openalex.org/I1332092204"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065269033","display_name":"Manaschai Kunaseth","orcid":"https://orcid.org/0000-0002-1327-2502"},"institutions":[{"id":"https://openalex.org/I1332092204","display_name":"National Science and Technology Development Agency","ror":"https://ror.org/04vy95b61","country_code":"TH","type":"government","lineage":["https://openalex.org/I1332092204"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Manaschai Kunaseth","raw_affiliation_strings":["NSTDA Supercomputer Center, National Science and Technology Development Agency, Pathum Thani, Thailand"],"affiliations":[{"raw_affiliation_string":"NSTDA Supercomputer Center, National Science and Technology Development Agency, Pathum Thani, Thailand","institution_ids":["https://openalex.org/I1332092204"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062861988","display_name":"Fuyuki Shimojo","orcid":"https://orcid.org/0000-0002-4025-0069"},"institutions":[{"id":"https://openalex.org/I96036126","display_name":"Kumamoto University","ror":"https://ror.org/02cgss904","country_code":"JP","type":"education","lineage":["https://openalex.org/I96036126"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Fuyuki Shimojo","raw_affiliation_strings":["Department of Physics, Kumamoto University, Kumamoto, Japan"],"affiliations":[{"raw_affiliation_string":"Department of Physics, Kumamoto University, Kumamoto, Japan","institution_ids":["https://openalex.org/I96036126"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101428985","display_name":"Shogo Fukushima","orcid":"https://orcid.org/0000-0001-9718-6646"},"institutions":[{"id":"https://openalex.org/I96036126","display_name":"Kumamoto University","ror":"https://ror.org/02cgss904","country_code":"JP","type":"education","lineage":["https://openalex.org/I96036126"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shogo Fukushima","raw_affiliation_strings":["Department of Physics, Kumamoto University, Kumamoto, Japan"],"affiliations":[{"raw_affiliation_string":"Department of Physics, Kumamoto University, Kumamoto, Japan","institution_ids":["https://openalex.org/I96036126"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087579275","display_name":"Aiichiro Nakano","orcid":"https://orcid.org/0000-0003-3228-3896"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Aiichiro Nakano","raw_affiliation_strings":["Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S"],"affiliations":[{"raw_affiliation_string":"Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050014657","display_name":"Ye Luo","orcid":"https://orcid.org/0000-0002-5117-2385"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ye Luo","raw_affiliation_strings":["Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, IL, U.S"],"affiliations":[{"raw_affiliation_string":"Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, IL, U.S","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063758358","display_name":"Rajiv K. Kalia","orcid":"https://orcid.org/0000-0002-8835-5249"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Rajiv K. Kalia","raw_affiliation_strings":["Collaboratory for Advanced computing and Simulations, University of Southern California, Los Angeles, CA, U.S"],"affiliations":[{"raw_affiliation_string":"Collaboratory for Advanced computing and Simulations, University of Southern California, Los Angeles, CA, U.S","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047816889","display_name":"Ken\u2010ichi Nomura","orcid":"https://orcid.org/0000-0002-1743-1419"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ken-ichi Nomura","raw_affiliation_strings":["Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S"],"affiliations":[{"raw_affiliation_string":"Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5052894521","display_name":"Priya Vashishta","orcid":"https://orcid.org/0000-0003-4683-429X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Priya Vashishta","raw_affiliation_strings":["Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S"],"affiliations":[{"raw_affiliation_string":"Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":12,"corresponding_author_ids":["https://openalex.org/A5029654193"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.1509,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.55824798,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"10"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11804","display_name":"Quantum many-body systems","score":0.9990000128746033,"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/T11804","display_name":"Quantum many-body systems","score":0.9990000128746033,"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/T10020","display_name":"Quantum Information and Cryptography","score":0.9973000288009644,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T10425","display_name":"Cold Atom Physics and Bose-Einstein Condensates","score":0.9970999956130981,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/scale","display_name":"Scale (ratio)","score":0.6366558074951172},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5419780015945435},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.4866653084754944},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.46830713748931885},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.21645954251289368},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.12414705753326416}],"concepts":[{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.6366558074951172},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5419780015945435},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.4866653084754944},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.46830713748931885},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.21645954251289368},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.12414705753326416},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3368474.3368489","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3368474.3368489","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 on High Performance Computing in Asia-Pacific Region","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.47999998927116394,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W1758621580","https://openalex.org/W1964357583","https://openalex.org/W2006572775","https://openalex.org/W2018521699","https://openalex.org/W2030976617","https://openalex.org/W2046001409","https://openalex.org/W2072565812","https://openalex.org/W2073773252","https://openalex.org/W2077232836","https://openalex.org/W2096421416","https://openalex.org/W2098432400","https://openalex.org/W2103790977","https://openalex.org/W2109600507","https://openalex.org/W2115140794","https://openalex.org/W2122784091","https://openalex.org/W2134266318","https://openalex.org/W2142501550","https://openalex.org/W2151317657","https://openalex.org/W2166888618","https://openalex.org/W2187963590","https://openalex.org/W2230728100","https://openalex.org/W2340076492","https://openalex.org/W2474178918","https://openalex.org/W2766063749","https://openalex.org/W2768903759","https://openalex.org/W2773926239","https://openalex.org/W2780538128","https://openalex.org/W2793369479","https://openalex.org/W2810677665","https://openalex.org/W2842203717","https://openalex.org/W2849360682","https://openalex.org/W2896608850","https://openalex.org/W2903153955","https://openalex.org/W2913194876","https://openalex.org/W2939221602","https://openalex.org/W2950119333","https://openalex.org/W2955325605","https://openalex.org/W2969108705","https://openalex.org/W3102702912","https://openalex.org/W3105654855","https://openalex.org/W4239842353","https://openalex.org/W4251820394"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2478288626","https://openalex.org/W4391913857","https://openalex.org/W2350741829","https://openalex.org/W2530322880"],"abstract_inverted_index":{"Confluence":[0],"of":[1,26,93,162,167],"extreme-scale":[2],"quantum":[3,49],"dynamics":[4,51,166],"simulations":[5],"(i.e.":[6],"[email":[7],"protected])":[8],"and":[9,74,81,96,100,106,112],"cutting-edge":[10],"x-ray":[11],"free-electron":[12],"laser":[13],"experiments":[14],"are":[15],"revolutionizing":[16],"materials":[17],"science.":[18],"An":[19],"archetypal":[20],"example":[21],"is":[22],"the":[23,54,140,154,165],"exciting":[24],"concept":[25],"using":[27],"picosecond":[28],"light":[29],"pulses":[30],"to":[31,46,157],"control":[32],"emergent":[33],"material":[34,70,169],"properties":[35],"on":[36,123,164],"demand":[37],"in":[38],"atomically-thin":[39],"layered":[40,69,168],"materials.":[41],"This":[42],"paper":[43],"describes":[44],"efforts":[45],"scale":[47],"our":[48],"molecular":[50],"engine":[52,150],"toward":[53],"United":[55],"States'":[56],"first":[57,155],"exaflop/s":[58],"computer,":[59],"under":[60],"an":[61],"Aurora":[62],"Early":[63],"Science":[64],"Program":[65],"project":[66],"named":[67],"\"Metascalable":[68],"genome\".":[71],"Key":[72],"algorithmic":[73,88],"computing":[75],"techniques":[76],"incorporated":[77],"are:":[78],"(1)":[79],"globally-scalable":[80],"locally-fast":[82],"solvers":[83],"within":[84],"a":[85,130,159],"linear-scaling":[86],"divide-conquer-recombine":[87],"framework;":[89],"(2)":[90],"algebraic":[91],"'BLASification'":[92],"computational":[94],"kernels;":[95],"(3)":[97],"data":[98],"alignment":[99],"loop":[101],"restructuring,":[102],"along":[103],"with":[104],"register":[105],"cache":[107],"blocking,":[108],"for":[109,129,153],"enhanced":[110],"vectorization":[111],"efficient":[113],"memory":[114],"access.":[115],"The":[116,147],"resulting":[117],"weak-scaling":[118],"parallel":[119],"efficiency":[120],"was":[121],"0.93":[122],"131,072":[124],"Intel":[125],"Xeon":[126],"Phi":[127],"cores":[128],"56.6":[131],"million":[132,136],"atom":[133],"(or":[134],"169":[135],"valence-electron)":[137],"system,":[138],"whereas":[139],"various":[141],"code":[142],"transformations":[143],"achieved":[144],"5-fold":[145],"speedup.":[146],"optimized":[148],"simulation":[149],"allowed":[151],"us":[152],"time":[156],"establish":[158],"significant":[160],"effect":[161],"substrate":[163],"upon":[170],"electronic":[171],"excitation.":[172]},"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2021,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}