{"id":"https://openalex.org/W2990442724","doi":"https://doi.org/10.22331/q-2019-12-02-208","title":"Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization","display_name":"Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization","publication_year":2019,"publication_date":"2019-12-02","ids":{"openalex":"https://openalex.org/W2990442724","doi":"https://doi.org/10.22331/q-2019-12-02-208","mag":"2990442724"},"language":"en","primary_location":{"id":"doi:10.22331/q-2019-12-02-208","is_oa":true,"landing_page_url":"https://doi.org/10.22331/q-2019-12-02-208","pdf_url":"https://quantum-journal.org/papers/q-2019-12-02-208/pdf/","source":{"id":"https://openalex.org/S4210226432","display_name":"Quantum","issn_l":"2521-327X","issn":["2521-327X"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310317900","host_organization_name":"Verein zur F\u00f6rderung des Open Access Publizierens in den Quantenwissenschaften","host_organization_lineage":["https://openalex.org/P4310317900"],"host_organization_lineage_names":["Verein zur F\u00f6rderung des Open Access Publizierens in den Quantenwissenschaften"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Quantum","raw_type":"journal-article"},"type":"article","indexed_in":["arxiv","crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://quantum-journal.org/papers/q-2019-12-02-208/pdf/","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5085151983","display_name":"Dominic W. Berry","orcid":"https://orcid.org/0000-0003-3446-1449"},"institutions":[{"id":"https://openalex.org/I99043593","display_name":"Macquarie University","ror":"https://ror.org/01sf06y89","country_code":"AU","type":"education","lineage":["https://openalex.org/I99043593"]}],"countries":["AU"],"is_corresponding":true,"raw_author_name":"Dominic W. Berry","raw_affiliation_strings":["Department of Physics and Astronomy, Macquarie University, Sydney, NSW 2109, Australia"],"affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, Macquarie University, Sydney, NSW 2109, Australia","institution_ids":["https://openalex.org/I99043593"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109590205","display_name":"Craig Gidney","orcid":null},"institutions":[{"id":"https://openalex.org/I1291425158","display_name":"Google (United States)","ror":"https://ror.org/00njsd438","country_code":"US","type":"company","lineage":["https://openalex.org/I1291425158","https://openalex.org/I4210128969"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Craig Gidney","raw_affiliation_strings":["Google Research, Venice, CA 90291, United States"],"affiliations":[{"raw_affiliation_string":"Google Research, Venice, CA 90291, United States","institution_ids":["https://openalex.org/I1291425158"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017327903","display_name":"M\u00e1rio Motta","orcid":"https://orcid.org/0000-0003-1647-9864"},"institutions":[{"id":"https://openalex.org/I122411786","display_name":"California Institute of Technology","ror":"https://ror.org/05dxps055","country_code":"US","type":"education","lineage":["https://openalex.org/I122411786"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mario Motta","raw_affiliation_strings":["Division of Chemistry, California Institute of Technology, Pasadena, CA 91125, United States"],"affiliations":[{"raw_affiliation_string":"Division of Chemistry, California Institute of Technology, Pasadena, CA 91125, United States","institution_ids":["https://openalex.org/I122411786"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023528725","display_name":"Jarrod R. McClean","orcid":"https://orcid.org/0000-0002-2809-0509"},"institutions":[{"id":"https://openalex.org/I1291425158","display_name":"Google (United States)","ror":"https://ror.org/00njsd438","country_code":"US","type":"company","lineage":["https://openalex.org/I1291425158","https://openalex.org/I4210128969"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jarrod R. McClean","raw_affiliation_strings":["Google Research, Venice, CA 90291, United States"],"affiliations":[{"raw_affiliation_string":"Google Research, Venice, CA 90291, United States","institution_ids":["https://openalex.org/I1291425158"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5059699271","display_name":"Ryan Babbush","orcid":"https://orcid.org/0000-0001-6979-9533"},"institutions":[{"id":"https://openalex.org/I1291425158","display_name":"Google (United States)","ror":"https://ror.org/00njsd438","country_code":"US","type":"company","lineage":["https://openalex.org/I1291425158","https://openalex.org/I4210128969"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ryan Babbush","raw_affiliation_strings":["Google Research, Venice, CA 90291, United States"],"affiliations":[{"raw_affiliation_string":"Google Research, Venice, CA 90291, United States","institution_ids":["https://openalex.org/I1291425158"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5085151983"],"corresponding_institution_ids":["https://openalex.org/I99043593"],"apc_list":{"value":200,"currency":"EUR","value_usd":215},"apc_paid":{"value":200,"currency":"EUR","value_usd":215},"fwci":12.0069,"has_fulltext":true,"cited_by_count":211,"citation_normalized_percentile":{"value":0.9882541,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"3","issue":null,"first_page":"208","last_page":"208"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10682","display_name":"Quantum Computing Algorithms and Architecture","score":0.9998999834060669,"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"}},"topics":[{"id":"https://openalex.org/T10682","display_name":"Quantum Computing Algorithms and Architecture","score":0.9998999834060669,"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/T13182","display_name":"Quantum-Dot Cellular Automata","score":0.9939000010490417,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"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/T10020","display_name":"Quantum Information and Cryptography","score":0.9891999959945679,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.6697745323181152},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4953831434249878},{"id":"https://openalex.org/keywords/basis","display_name":"Basis (linear algebra)","score":0.4119621813297272},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3864210546016693},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.3238261938095093},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1822318434715271},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.13092702627182007}],"concepts":[{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.6697745323181152},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4953831434249878},{"id":"https://openalex.org/C12426560","wikidata":"https://www.wikidata.org/wiki/Q189569","display_name":"Basis (linear algebra)","level":2,"score":0.4119621813297272},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3864210546016693},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3238261938095093},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1822318434715271},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.13092702627182007}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.22331/q-2019-12-02-208","is_oa":true,"landing_page_url":"https://doi.org/10.22331/q-2019-12-02-208","pdf_url":"https://quantum-journal.org/papers/q-2019-12-02-208/pdf/","source":{"id":"https://openalex.org/S4210226432","display_name":"Quantum","issn_l":"2521-327X","issn":["2521-327X"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310317900","host_organization_name":"Verein zur F\u00f6rderung des Open Access Publizierens in den Quantenwissenschaften","host_organization_lineage":["https://openalex.org/P4310317900"],"host_organization_lineage_names":["Verein zur F\u00f6rderung des Open Access Publizierens in den Quantenwissenschaften"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Quantum","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:1902.02134","is_oa":true,"landing_page_url":"http://arxiv.org/abs/1902.02134","pdf_url":"https://arxiv.org/pdf/1902.02134","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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":"text"},{"id":"pmh:oai:authors.library.caltech.edu:106230","is_oa":true,"landing_page_url":"https://resolver.caltech.edu/CaltechAUTHORS:20201022-112713628","pdf_url":null,"source":{"id":"https://openalex.org/S4306402161","display_name":"CaltechAUTHORS (California Institute of Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I122411786","host_organization_name":"California Institute of Technology","host_organization_lineage":["https://openalex.org/I122411786"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"},{"id":"pmh:oai:doaj.org/article:20e6c25303ed4d89b9223498ac2bceef","is_oa":true,"landing_page_url":"https://doaj.org/article/20e6c25303ed4d89b9223498ac2bceef","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Quantum, Vol 3, p 208 (2019)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.22331/q-2019-12-02-208","is_oa":true,"landing_page_url":"https://doi.org/10.22331/q-2019-12-02-208","pdf_url":"https://quantum-journal.org/papers/q-2019-12-02-208/pdf/","source":{"id":"https://openalex.org/S4210226432","display_name":"Quantum","issn_l":"2521-327X","issn":["2521-327X"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310317900","host_organization_name":"Verein zur F\u00f6rderung des Open Access Publizierens in den Quantenwissenschaften","host_organization_lineage":["https://openalex.org/P4310317900"],"host_organization_lineage_names":["Verein zur F\u00f6rderung des Open Access Publizierens in den Quantenwissenschaften"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Quantum","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1619791832","display_name":null,"funder_award_id":"DE-SC001937","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6903812475","display_name":null,"funder_award_id":"DE-SC0019374","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8512348826","display_name":null,"funder_award_id":"19374","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"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2990442724.pdf","grobid_xml":"https://content.openalex.org/works/W2990442724.grobid-xml"},"referenced_works_count":85,"referenced_works":["https://openalex.org/W1495478173","https://openalex.org/W1561344775","https://openalex.org/W1620538313","https://openalex.org/W1629802966","https://openalex.org/W1786071147","https://openalex.org/W1985122440","https://openalex.org/W1985671429","https://openalex.org/W1998217267","https://openalex.org/W2011984776","https://openalex.org/W2025212366","https://openalex.org/W2027780909","https://openalex.org/W2030867075","https://openalex.org/W2031301148","https://openalex.org/W2037118799","https://openalex.org/W2040792108","https://openalex.org/W2051446825","https://openalex.org/W2052891002","https://openalex.org/W2062738866","https://openalex.org/W2063512590","https://openalex.org/W2065773944","https://openalex.org/W2087585288","https://openalex.org/W2090082574","https://openalex.org/W2100113961","https://openalex.org/W2100129648","https://openalex.org/W2103373613","https://openalex.org/W2135246499","https://openalex.org/W2179731956","https://openalex.org/W2320764870","https://openalex.org/W2349487082","https://openalex.org/W2402632028","https://openalex.org/W2415656260","https://openalex.org/W2494686247","https://openalex.org/W2499071604","https://openalex.org/W2535738892","https://openalex.org/W2585283512","https://openalex.org/W2593019179","https://openalex.org/W2618431612","https://openalex.org/W2620582212","https://openalex.org/W2745599374","https://openalex.org/W2759506558","https://openalex.org/W2769838435","https://openalex.org/W2770585428","https://openalex.org/W2771715674","https://openalex.org/W2775106578","https://openalex.org/W2775563604","https://openalex.org/W2779736156","https://openalex.org/W2782569940","https://openalex.org/W2798836793","https://openalex.org/W2801305581","https://openalex.org/W2805699655","https://openalex.org/W2886696706","https://openalex.org/W2893185172","https://openalex.org/W2901677314","https://openalex.org/W2903803234","https://openalex.org/W2923595161","https://openalex.org/W2945632438","https://openalex.org/W2950407640","https://openalex.org/W2952708034","https://openalex.org/W2963652075","https://openalex.org/W2986557571","https://openalex.org/W3097997666","https://openalex.org/W3098228168","https://openalex.org/W3098476766","https://openalex.org/W3098639868","https://openalex.org/W3099473185","https://openalex.org/W3099621369","https://openalex.org/W3099828513","https://openalex.org/W3100148174","https://openalex.org/W3100182954","https://openalex.org/W3100831540","https://openalex.org/W3101201397","https://openalex.org/W3101824094","https://openalex.org/W3101832224","https://openalex.org/W3102774135","https://openalex.org/W3106047133","https://openalex.org/W3106120343","https://openalex.org/W3122575146","https://openalex.org/W4232681806","https://openalex.org/W4289147395","https://openalex.org/W4289543899","https://openalex.org/W4297662785","https://openalex.org/W4394662590","https://openalex.org/W6607606998","https://openalex.org/W6644858760","https://openalex.org/W6812397782"],"related_works":["https://openalex.org/W2961085424","https://openalex.org/W4306674287","https://openalex.org/W3046775127","https://openalex.org/W3107602296","https://openalex.org/W3170094116","https://openalex.org/W4386462264","https://openalex.org/W4364306694","https://openalex.org/W4312192474","https://openalex.org/W4283697347","https://openalex.org/W4210805261"],"abstract_inverted_index":{"Recent":[0],"work":[1],"has":[2],"dramatically":[3],"reduced":[4],"the":[5,25,70,98,128,131,140],"gate":[6],"complexity":[7],"required":[8],"to":[9,21,138,144],"quantum":[10,59,162],"simulate":[11,139],"chemistry":[12,132],"by":[13,56,74],"using":[14,57,169],"linear":[15],"combinations":[16],"of":[17,49,67,91,100,122,130],"unitaries":[18],"based":[19],"methods":[20],"exploit":[22],"structure":[23,68],"in":[24,61,69],"plane":[26,54],"wave":[27],"basis":[28,43],"Coulomb":[29,71],"operator.":[30],"Here,":[31],"we":[32],"show":[33],"that":[34,64],"one":[35,104],"can":[36,46],"achieve":[37],"similar":[38],"scaling":[39,99],"even":[40],"for":[41,88,164],"arbitrary":[42],"sets":[44],"(which":[45,94],"be":[47],"hundreds":[48],"times":[50,154],"more":[51,173],"compact":[52],"than":[53,160],"waves)":[55],"qubitized":[58],"walks":[60],"a":[62,80,170],"fashion":[63],"takes":[65],"advantage":[66],"operator,":[72],"either":[73],"directly":[75],"exploiting":[76],"sparseness,":[77],"or":[78],"via":[79],"low":[81],"rank":[82],"tensor":[83],"factorization.":[84],"We":[85,134],"provide":[86],"circuits":[87,149],"several":[89],"variants":[90],"our":[92,136],"algorithm":[93],"all":[95],"improve":[96],"over":[97],"prior":[101,161],"methods)":[102],"including":[103],"with":[105],"<mml:math":[106,118,125],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow":[107],"class=\"MJX-TeXAtom-ORD\"><mml:mover><mml:mi":[108],"class=\"MJX-tex-caligraphic\"":[109],"mathvariant=\"script\">O</mml:mi><mml:mo>~</mml:mo></mml:mover></mml:mrow><mml:mo":[110],"stretchy=\"false\">(</mml:mo><mml:msup><mml:mi>N</mml:mi><mml:mrow":[111],"class=\"MJX-TeXAtom-ORD\"><mml:mn>3</mml:mn><mml:mrow":[112],"class=\"MJX-TeXAtom-ORD\"><mml:mo>/</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup><mml:mi>\u03bb</mml:mi><mml:mo":[113],"stretchy=\"false\">)</mml:mo></mml:math>":[114],"T":[115],"complexity,":[116],"where":[117],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mi>N</mml:mi></mml:math>":[119],"is":[120,127],"number":[121],"orbitals":[123],"and":[124,147,172],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mi>\u03bb</mml:mi></mml:math>":[126],"1-norm":[129],"Hamiltonian.":[133],"deploy":[135],"algorithms":[137,163],"FeMoco":[141],"molecule":[142],"(relevant":[143],"Nitrogen":[145],"fixation)":[146],"obtain":[148],"requiring":[150],"about":[151],"seven":[152],"hundred":[153],"less":[155],"surface":[156],"code":[157],"spacetime":[158],"volume":[159],"this":[165],"system,":[166],"despite":[167],"us":[168],"larger":[171],"accurate":[174],"active":[175],"space.":[176]},"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":38},{"year":2024,"cited_by_count":33},{"year":2023,"cited_by_count":51},{"year":2022,"cited_by_count":33},{"year":2021,"cited_by_count":30},{"year":2020,"cited_by_count":17},{"year":2019,"cited_by_count":3}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}
