{"id":"https://openalex.org/W4407353973","doi":"https://doi.org/10.22331/q-2025-02-11-1630","title":"Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis","display_name":"Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis","publication_year":2025,"publication_date":"2025-02-11","ids":{"openalex":"https://openalex.org/W4407353973","doi":"https://doi.org/10.22331/q-2025-02-11-1630"},"language":"en","primary_location":{"id":"doi:10.22331/q-2025-02-11-1630","is_oa":true,"landing_page_url":"https://doi.org/10.22331/q-2025-02-11-1630","pdf_url":"https://quantum-journal.org/papers/q-2025-02-11-1630/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":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://quantum-journal.org/papers/q-2025-02-11-1630/pdf/","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5048990981","display_name":"Dimitar Trenev","orcid":"https://orcid.org/0000-0001-6131-8467"},"institutions":[{"id":"https://openalex.org/I923382979","display_name":"ExxonMobil (United States)","ror":"https://ror.org/01xcepn55","country_code":"US","type":"company","lineage":["https://openalex.org/I923382979"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dimitar Trenev","raw_affiliation_strings":["ExxonMobil Technology and Engineering Company, Annandale, NJ 08801, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"ExxonMobil Technology and Engineering Company, Annandale, NJ 08801, USA","institution_ids":["https://openalex.org/I923382979"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071232488","display_name":"Pauline J. Ollitrault","orcid":"https://orcid.org/0000-0003-1351-7546"},"institutions":[{"id":"https://openalex.org/I4210126328","display_name":"IBM Research - Zurich","ror":"https://ror.org/02js37d36","country_code":"CH","type":"facility","lineage":["https://openalex.org/I1341412227","https://openalex.org/I4210114115","https://openalex.org/I4210126328"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Pauline J Ollitrault","raw_affiliation_strings":["IBM Quantum, IBM Research Zurich, S\u00e4umerstrasse 4, 8803 R\u00fcschlikon, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"IBM Quantum, IBM Research Zurich, S\u00e4umerstrasse 4, 8803 R\u00fcschlikon, Switzerland","institution_ids":["https://openalex.org/I4210126328"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020564160","display_name":"Stuart M. Harwood","orcid":"https://orcid.org/0000-0001-5883-9624"},"institutions":[{"id":"https://openalex.org/I923382979","display_name":"ExxonMobil (United States)","ror":"https://ror.org/01xcepn55","country_code":"US","type":"company","lineage":["https://openalex.org/I923382979"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Stuart M. Harwood","raw_affiliation_strings":["ExxonMobil Technology and Engineering Company, Annandale, NJ 08801, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"ExxonMobil Technology and Engineering Company, Annandale, NJ 08801, USA","institution_ids":["https://openalex.org/I923382979"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015839096","display_name":"Tanvi P. Gujarati","orcid":"https://orcid.org/0000-0002-8463-3037"},"institutions":[{"id":"https://openalex.org/I4210085935","display_name":"IBM Research - Almaden","ror":"https://ror.org/005w8dd04","country_code":"US","type":"facility","lineage":["https://openalex.org/I1341412227","https://openalex.org/I4210085935","https://openalex.org/I4210114115"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tanvi P. Gujarati","raw_affiliation_strings":["IBM Quantum, IBM Research Almaden, San Jose, CA 95120, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"IBM Quantum, IBM Research Almaden, San Jose, CA 95120, USA","institution_ids":["https://openalex.org/I4210085935"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085639675","display_name":"Sumathy Raman","orcid":null},"institutions":[{"id":"https://openalex.org/I923382979","display_name":"ExxonMobil (United States)","ror":"https://ror.org/01xcepn55","country_code":"US","type":"company","lineage":["https://openalex.org/I923382979"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sumathy Raman","raw_affiliation_strings":["ExxonMobil Technology and Engineering Company, Annandale, NJ 08801, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"ExxonMobil Technology and Engineering Company, Annandale, NJ 08801, USA","institution_ids":["https://openalex.org/I923382979"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066348255","display_name":"Antonio Mezzacapo","orcid":"https://orcid.org/0009-0007-8224-4517"},"institutions":[{"id":"https://openalex.org/I1341412227","display_name":"IBM (United States)","ror":"https://ror.org/05hh8d621","country_code":"US","type":"company","lineage":["https://openalex.org/I1341412227"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Antonio Mezzacapo","raw_affiliation_strings":["IBM Quantum, IBM T.J. Watson Research Center, Yorktown Heights, NY 10598, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"IBM Quantum, IBM T.J. Watson Research Center, Yorktown Heights, NY 10598, USA","institution_ids":["https://openalex.org/I1341412227"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5025065490","display_name":"Sarah Mostame","orcid":null},"institutions":[{"id":"https://openalex.org/I1341412227","display_name":"IBM (United States)","ror":"https://ror.org/05hh8d621","country_code":"US","type":"company","lineage":["https://openalex.org/I1341412227"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sarah Mostame","raw_affiliation_strings":["IBM Quantum, IBM T.J. Watson Research Center, Yorktown Heights, NY 10598, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"IBM Quantum, IBM T.J. Watson Research Center, Yorktown Heights, NY 10598, USA","institution_ids":["https://openalex.org/I1341412227"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":200,"currency":"EUR","value_usd":215},"apc_paid":{"value":200,"currency":"EUR","value_usd":215},"fwci":5.584,"has_fulltext":true,"cited_by_count":4,"citation_normalized_percentile":{"value":0.95053625,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":97},"biblio":{"volume":"9","issue":null,"first_page":"1630","last_page":"1630"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10682","display_name":"Quantum Computing Algorithms and Architecture","score":0.9983999729156494,"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":0.9983999729156494,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9976999759674072,"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":0.9976000189781189,"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/refining","display_name":"Refining (metallurgy)","score":0.7765306234359741},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.6697654724121094},{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.5215161442756653},{"id":"https://openalex.org/keywords/spectral-line","display_name":"Spectral line","score":0.45786717534065247},{"id":"https://openalex.org/keywords/error-analysis","display_name":"Error analysis","score":0.4429139196872711},{"id":"https://openalex.org/keywords/quantum-computer","display_name":"Quantum computer","score":0.42968010902404785},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.42260515689849854},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.4161669611930847},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3877915143966675},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.38307657837867737},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3255821168422699},{"id":"https://openalex.org/keywords/applied-mathematics","display_name":"Applied mathematics","score":0.28910449147224426},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.26358163356781006},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.26142555475234985},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.24706679582595825},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.23062536120414734}],"concepts":[{"id":"https://openalex.org/C60044698","wikidata":"https://www.wikidata.org/wiki/Q1283324","display_name":"Refining (metallurgy)","level":2,"score":0.7765306234359741},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.6697654724121094},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.5215161442756653},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.45786717534065247},{"id":"https://openalex.org/C3018824978","wikidata":"https://www.wikidata.org/wiki/Q2894891","display_name":"Error analysis","level":2,"score":0.4429139196872711},{"id":"https://openalex.org/C58053490","wikidata":"https://www.wikidata.org/wiki/Q176555","display_name":"Quantum computer","level":3,"score":0.42968010902404785},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.42260515689849854},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4161669611930847},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3877915143966675},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.38307657837867737},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3255821168422699},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.28910449147224426},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.26358163356781006},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.26142555475234985},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.24706679582595825},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.23062536120414734}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.22331/q-2025-02-11-1630","is_oa":true,"landing_page_url":"https://doi.org/10.22331/q-2025-02-11-1630","pdf_url":"https://quantum-journal.org/papers/q-2025-02-11-1630/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:doaj.org/article:9b2281cc384148df8ef1a4c0354e4dcf","is_oa":true,"landing_page_url":"https://doaj.org/article/9b2281cc384148df8ef1a4c0354e4dcf","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"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 9, p 1630 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.22331/q-2025-02-11-1630","is_oa":true,"landing_page_url":"https://doi.org/10.22331/q-2025-02-11-1630","pdf_url":"https://quantum-journal.org/papers/q-2025-02-11-1630/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":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4407353973.pdf","grobid_xml":"https://content.openalex.org/works/W4407353973.grobid-xml"},"referenced_works_count":58,"referenced_works":["https://openalex.org/W1973261199","https://openalex.org/W1994099779","https://openalex.org/W1995059952","https://openalex.org/W2000439700","https://openalex.org/W2010191833","https://openalex.org/W2020832300","https://openalex.org/W2025607662","https://openalex.org/W2027003240","https://openalex.org/W2048527615","https://openalex.org/W2052891002","https://openalex.org/W2060833676","https://openalex.org/W2064670646","https://openalex.org/W2082947687","https://openalex.org/W2104568158","https://openalex.org/W2117980155","https://openalex.org/W2138861556","https://openalex.org/W2161685427","https://openalex.org/W2170747065","https://openalex.org/W2317917083","https://openalex.org/W2349487082","https://openalex.org/W2499071604","https://openalex.org/W2535738892","https://openalex.org/W2600825956","https://openalex.org/W2755255888","https://openalex.org/W2801305581","https://openalex.org/W2804779112","https://openalex.org/W2898959196","https://openalex.org/W2906538035","https://openalex.org/W2908516499","https://openalex.org/W2976208308","https://openalex.org/W2990961515","https://openalex.org/W2995050112","https://openalex.org/W3006710752","https://openalex.org/W3013067859","https://openalex.org/W3035645428","https://openalex.org/W3037039307","https://openalex.org/W3085187082","https://openalex.org/W3097181322","https://openalex.org/W3099200606","https://openalex.org/W3101824094","https://openalex.org/W3105513513","https://openalex.org/W3106120343","https://openalex.org/W3111162498","https://openalex.org/W3129699569","https://openalex.org/W3164805225","https://openalex.org/W3208194807","https://openalex.org/W3209196908","https://openalex.org/W4211209046","https://openalex.org/W4377565880","https://openalex.org/W4382723626","https://openalex.org/W4385683535","https://openalex.org/W4385733982","https://openalex.org/W4387390353","https://openalex.org/W4393234688","https://openalex.org/W4399207709","https://openalex.org/W4403309524","https://openalex.org/W6912284476","https://openalex.org/W6944687171"],"related_works":["https://openalex.org/W1595345252","https://openalex.org/W2392526918","https://openalex.org/W2362540361","https://openalex.org/W2019560916","https://openalex.org/W2361983698","https://openalex.org/W2347697528","https://openalex.org/W2354123794","https://openalex.org/W2372508235","https://openalex.org/W2560036917","https://openalex.org/W2349506406"],"abstract_inverted_index":{"Accurate":[0],"simulations":[1],"of":[2,38,83,91,100,103,114],"vibrational":[3,18,46,97,136],"molecular":[4],"spectra":[5],"are":[6],"expensive":[7],"on":[8,49,58,64],"conventional":[9],"computers.":[10],"Compared":[11],"to":[12,70,118],"the":[13,17,84,89,92,96,119,131],"electronic":[14],"structure":[15,19,47,98,137],"problem,":[16],"problem":[20],"with":[21],"quantum":[22,33,42,52,59,66,85,133],"computers":[23],"is":[24,56],"less":[25],"investigated.":[26],"In":[27,68],"this":[28,123],"work":[29,124],"we":[30,77,108],"accurately":[31],"estimate":[32],"resources,":[34],"such":[35],"as":[36,126],"number":[37],"logical":[39],"qubits":[40],"and":[41,62],"gates,":[43],"required":[44],"for":[45,73,88,129],"calculations":[48],"a":[50,79,127],"programmable":[51],"computer.":[53],"Our":[54],"approach":[55],"based":[57],"phase":[60],"estimation":[61],"focuses":[63],"fault-tolerant":[65],"devices.":[67],"addition":[69],"asymptotic":[71],"estimates":[72],"generic":[74],"chemical":[75],"compounds,":[76],"present":[78],"more":[80],"detailed":[81],"analysis":[82,113],"resources":[86],"needed":[87],"simulation":[90],"Hamiltonian":[93],"arising":[94],"in":[95],"calculation":[99],"acetylene-like":[101],"polyynes":[102],"interest.":[104],"Leveraging":[105],"nested":[106],"commutators,":[107],"provide":[109],"an":[110],"in-depth":[111],"quantitative":[112],"trotter":[115],"errors":[116],"compared":[117],"prior":[120],"investigations.":[121],"Ultimately,":[122],"serves":[125],"guide":[128],"analyzing":[130],"potential":[132],"advantage":[134],"within":[135],"simulations.":[138]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}