{"id":"https://openalex.org/W4408621537","doi":"https://doi.org/10.1021/acs.jcim.4c02219","title":"KUTE: Green\u2013Kubo Uncertainty-Based Transport Coefficient Estimator","display_name":"KUTE: Green\u2013Kubo Uncertainty-Based Transport Coefficient Estimator","publication_year":2025,"publication_date":"2025-03-19","ids":{"openalex":"https://openalex.org/W4408621537","doi":"https://doi.org/10.1021/acs.jcim.4c02219","pmid":"https://pubmed.ncbi.nlm.nih.gov/40105208"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c02219","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02219","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acs.jcim.4c02219","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5076022295","display_name":"Mart\u00edn Otero-Lema","orcid":"https://orcid.org/0000-0001-5176-501X"},"institutions":[{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Mart\u00edn Otero-Lema","raw_affiliation_strings":["Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain"],"affiliations":[{"raw_affiliation_string":"Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]},{"raw_affiliation_string":"Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5092219582","display_name":"Ra\u00fal Lois-Cuns","orcid":"https://orcid.org/0009-0005-4679-2597"},"institutions":[{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Ra\u00fal Lois-Cuns","raw_affiliation_strings":["Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain"],"affiliations":[{"raw_affiliation_string":"Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]},{"raw_affiliation_string":"Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116701361","display_name":"Miguel A. Boado","orcid":null},"institutions":[{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Miguel A. Boado","raw_affiliation_strings":["Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain"],"affiliations":[{"raw_affiliation_string":"Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]},{"raw_affiliation_string":"Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057104110","display_name":"Hadri\u00e1n Montes\u2010Campos","orcid":"https://orcid.org/0000-0001-9861-8076"},"institutions":[{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Hadri\u00e1n Montes-Campos","raw_affiliation_strings":["Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain"],"affiliations":[{"raw_affiliation_string":"Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]},{"raw_affiliation_string":"Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004336514","display_name":"Trinidad M\u00e9ndez\u2010Morales","orcid":"https://orcid.org/0000-0002-9795-6302"},"institutions":[{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Trinidad M\u00e9ndez-Morales","raw_affiliation_strings":["Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain"],"affiliations":[{"raw_affiliation_string":"Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]},{"raw_affiliation_string":"Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5021142634","display_name":"Luis M. Varela","orcid":"https://orcid.org/0000-0002-0569-0042"},"institutions":[{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Luis M. Varela","raw_affiliation_strings":["Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain"],"affiliations":[{"raw_affiliation_string":"Grupo de Nanomateriais, Fot\u00f3nica e Materia Branda, Departamento de F\u00edsica de Part\u00edculas, Universidade de Santiago de Compostela, Campus Vida s/n, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]},{"raw_affiliation_string":"Instituto de Materiais (iMATUS), Universidade de Santiago de Compostela, Avenida do Mestre Mateo 25, Santiago de Compostela E-15782, Spain","institution_ids":["https://openalex.org/I200284239"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5004336514","https://openalex.org/A5057104110"],"corresponding_institution_ids":["https://openalex.org/I200284239"],"apc_list":null,"apc_paid":null,"fwci":1.4387,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.77535978,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"65","issue":"7","first_page":"3477","last_page":"3487"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11434","display_name":"Electrochemical Analysis and Applications","score":0.9715999960899353,"subfield":{"id":"https://openalex.org/subfields/1603","display_name":"Electrochemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11434","display_name":"Electrochemical Analysis and Applications","score":0.9715999960899353,"subfield":{"id":"https://openalex.org/subfields/1603","display_name":"Electrochemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10480","display_name":"Ionic liquids properties and applications","score":0.9577999711036682,"subfield":{"id":"https://openalex.org/subfields/1503","display_name":"Catalysis"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10663","display_name":"Advanced Battery Technologies Research","score":0.9455999732017517,"subfield":{"id":"https://openalex.org/subfields/2203","display_name":"Automotive 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/estimator","display_name":"Estimator","score":0.6972150802612305},{"id":"https://openalex.org/keywords/econometrics","display_name":"Econometrics","score":0.45325547456741333},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.44825032353401184},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.38916313648223877},{"id":"https://openalex.org/keywords/applied-mathematics","display_name":"Applied mathematics","score":0.35248470306396484},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.2944275140762329},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.24196922779083252}],"concepts":[{"id":"https://openalex.org/C185429906","wikidata":"https://www.wikidata.org/wiki/Q1130160","display_name":"Estimator","level":2,"score":0.6972150802612305},{"id":"https://openalex.org/C149782125","wikidata":"https://www.wikidata.org/wiki/Q160039","display_name":"Econometrics","level":1,"score":0.45325547456741333},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.44825032353401184},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.38916313648223877},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.35248470306396484},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.2944275140762329},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.24196922779083252}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D035501","descriptor_name":"Uncertainty","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D035501","descriptor_name":"Uncertainty","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D035501","descriptor_name":"Uncertainty","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D052578","descriptor_name":"Ionic Liquids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D052578","descriptor_name":"Ionic Liquids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D052578","descriptor_name":"Ionic Liquids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.4c02219","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02219","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:40105208","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40105208","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:12124720","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12124720","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"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":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.4c02219","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02219","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1342225393","display_name":null,"funder_award_id":"ED431C 2024/06","funder_id":"https://openalex.org/F4320326655","funder_display_name":"Xunta de Galicia"},{"id":"https://openalex.org/G1964990492","display_name":null,"funder_award_id":"ED481A 2022/236","funder_id":"https://openalex.org/F4320326655","funder_display_name":"Xunta de Galicia"},{"id":"https://openalex.org/G2614490245","display_name":null,"funder_award_id":"PID2021-126148NA-I00","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G2760412531","display_name":null,"funder_award_id":"RYC2022-036679-I","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G5375431831","display_name":null,"funder_award_id":"0160_HI_MOV_1_E","funder_id":"https://openalex.org/F4320337753","funder_display_name":"Interreg"},{"id":"https://openalex.org/G6937848424","display_name":null,"funder_award_id":"CNS2023-144785","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"}],"funders":[{"id":"https://openalex.org/F4320315062","display_name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades","ror":null},{"id":"https://openalex.org/F4320326655","display_name":"Xunta de Galicia","ror":"https://ror.org/0181xnw06"},{"id":"https://openalex.org/F4320328802","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10"},{"id":"https://openalex.org/F4320335322","display_name":"European Regional Development Fund","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320335598","display_name":"Agencia Estatal de Investigaci\u00f3n","ror":null},{"id":"https://openalex.org/F4320337753","display_name":"Interreg","ror":null},{"id":"https://openalex.org/F7311471023","display_name":"NextGenerationEU","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":72,"referenced_works":["https://openalex.org/W1668732012","https://openalex.org/W1778591116","https://openalex.org/W1964197022","https://openalex.org/W1970363937","https://openalex.org/W1972750128","https://openalex.org/W1975074362","https://openalex.org/W1976828803","https://openalex.org/W1977101691","https://openalex.org/W1978189250","https://openalex.org/W1987185021","https://openalex.org/W1989877299","https://openalex.org/W2003949305","https://openalex.org/W2007313331","https://openalex.org/W2011301426","https://openalex.org/W2014624856","https://openalex.org/W2015590681","https://openalex.org/W2015839537","https://openalex.org/W2018763953","https://openalex.org/W2018767956","https://openalex.org/W2019657774","https://openalex.org/W2039786651","https://openalex.org/W2040716987","https://openalex.org/W2044012691","https://openalex.org/W2050730625","https://openalex.org/W2057089150","https://openalex.org/W2057730203","https://openalex.org/W2057942166","https://openalex.org/W2058241222","https://openalex.org/W2067076385","https://openalex.org/W2068367644","https://openalex.org/W2068833449","https://openalex.org/W2071725429","https://openalex.org/W2092948839","https://openalex.org/W2093233380","https://openalex.org/W2134829312","https://openalex.org/W2157317854","https://openalex.org/W2170711116","https://openalex.org/W2171878593","https://openalex.org/W2335475806","https://openalex.org/W2337151043","https://openalex.org/W2510475640","https://openalex.org/W2589164756","https://openalex.org/W2606905593","https://openalex.org/W2754126539","https://openalex.org/W2755134615","https://openalex.org/W2810280758","https://openalex.org/W2887694399","https://openalex.org/W2906626571","https://openalex.org/W2947404716","https://openalex.org/W2949223833","https://openalex.org/W2951610118","https://openalex.org/W2973705388","https://openalex.org/W2988220986","https://openalex.org/W2995029314","https://openalex.org/W3003257820","https://openalex.org/W3035965352","https://openalex.org/W3099878876","https://openalex.org/W3103719042","https://openalex.org/W3112437272","https://openalex.org/W3124779408","https://openalex.org/W3131287926","https://openalex.org/W3173540555","https://openalex.org/W3193721805","https://openalex.org/W4206510106","https://openalex.org/W4213374788","https://openalex.org/W4224990178","https://openalex.org/W4282976935","https://openalex.org/W4288045464","https://openalex.org/W4297985288","https://openalex.org/W4381432574","https://openalex.org/W4396913593","https://openalex.org/W4400496806"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W1979597421","https://openalex.org/W2007980826","https://openalex.org/W4245953108","https://openalex.org/W1977619534","https://openalex.org/W2236763869","https://openalex.org/W2097626286","https://openalex.org/W4293568347","https://openalex.org/W2808230936","https://openalex.org/W2023659367"],"abstract_inverted_index":{"An":[0],"algorithm":[1],"for":[2,61,69],"the":[3,18,21,27,30,46,51,62,81,87,91],"calculation":[4],"of":[5,29,53,64,72,84,90],"transport":[6,73,102],"properties":[7,103],"from":[8,20],"molecular":[9],"dynamics":[10],"simulations,":[11],"kute,":[12],"is":[13,55,76],"introduced.":[14],"The":[15],"method":[16],"estimates":[17],"integrals":[19],"Green-Kubo":[22,105],"theorem,":[23],"taking":[24],"into":[25],"account":[26],"uncertainties":[28],"correlation":[31],"functions":[32],"in":[33],"order":[34],"to":[35,100],"eliminate":[36],"arbitrary":[37],"cutoffs":[38],"or":[39],"external":[40],"parameters":[41],"whose":[42],"values":[43],"could":[44],"alter":[45],"result.":[47],"In":[48],"this":[49],"contribution,":[50],"performance":[52],"kute":[54,79],"tested":[56],"against":[57],"other":[58,98],"popular":[59],"methods":[60,99],"case":[63],"a":[65,70],"protic":[66],"ionic":[67],"liquid":[68],"variety":[71],"properties.":[74],"It":[75],"found":[77],"that":[78],"achieves":[80],"same":[82],"degree":[83],"accuracy":[85],"as":[86],"equivalent":[88],"formulation":[89],"Einstein":[92],"relations":[93],"while":[94],"performing":[95],"better":[96],"than":[97],"calculate":[101],"using":[104],"methods.":[106]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2}],"updated_date":"2026-04-14T08:04:32.555800","created_date":"2025-10-10T00:00:00"}