{"id":"https://openalex.org/W4289519083","doi":"https://doi.org/10.1063/5.0098587","title":"Augmented transition path theory for sequences of events","display_name":"Augmented transition path theory for sequences of events","publication_year":2022,"publication_date":"2022-08-02","ids":{"openalex":"https://openalex.org/W4289519083","doi":"https://doi.org/10.1063/5.0098587","pmid":"https://pubmed.ncbi.nlm.nih.gov/36075728","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/9458294"},"language":"en","primary_location":{"id":"doi:10.1063/5.0098587","doi":"https://doi.org/10.1063/5.0098587","is_oa":false,"landing_page_url":"https://doi.org/10.1063/5.0098587","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["arxiv","crossref","datacite","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9458294","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5055412953","display_name":"Chatipat Lorpaiboon","orcid":"https://orcid.org/0000-0001-6518-0338","observed_orcids":["https://orcid.org/0000-0001-6518-0338"]},"institutions":[{"id":"https://openalex.org/I40347166","display_name":"University of Chicago","ror":"https://ror.org/024mw5h28","country_code":"US","type":"education","lineage":["https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Chatipat Lorpaiboon","raw_affiliation_strings":["Department of Chemistry and James Franck Institute, University of Chicago 1 , Chicago, Illinois 60637, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and James Franck Institute, University of Chicago 1 , Chicago, Illinois 60637, USA","institution_ids":["https://openalex.org/I40347166"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016587955","display_name":"Jonathan Weare","orcid":"https://orcid.org/0000-0001-8745-1821","observed_orcids":["https://orcid.org/0000-0001-8745-1821"]},"institutions":[{"id":"https://openalex.org/I36672615","display_name":"Courant Institute of Mathematical Sciences","ror":"https://ror.org/037tm7f56","country_code":"US","type":"education","lineage":["https://openalex.org/I36672615","https://openalex.org/I57206974"]},{"id":"https://openalex.org/I57206974","display_name":"New York University","ror":"https://ror.org/0190ak572","country_code":"US","type":"education","lineage":["https://openalex.org/I57206974"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jonathan Weare","raw_affiliation_strings":["Courant Institute of Mathematical Sciences, New York University 2 , New York, New York 10012, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Courant Institute of Mathematical Sciences, New York University 2 , New York, New York 10012, USA","institution_ids":["https://openalex.org/I36672615","https://openalex.org/I57206974"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075498364","display_name":"Aaron R. Dinner","orcid":"https://orcid.org/0000-0001-8328-6427","observed_orcids":["https://orcid.org/0000-0001-8328-6427"]},"institutions":[{"id":"https://openalex.org/I40347166","display_name":"University of Chicago","ror":"https://ror.org/024mw5h28","country_code":"US","type":"education","lineage":["https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Aaron R. Dinner","raw_affiliation_strings":["Department of Chemistry and James Franck Institute, University of Chicago 1 , Chicago, Illinois 60637, USA"],"raw_orcid":"https://orcid.org/0000-0001-8328-6427","affiliations":[{"raw_affiliation_string":"Department of Chemistry and James Franck Institute, University of Chicago 1 , Chicago, Illinois 60637, USA","institution_ids":["https://openalex.org/I40347166"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5075498364"],"corresponding_institution_ids":["https://openalex.org/I40347166"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":1.06,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.70176298,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"157","issue":"9","first_page":"094115","last_page":"094115"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.9063000082969666,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.9063000082969666,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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/T10044","display_name":"Protein Structure and Dynamics","score":0.014399999752640724,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11513","display_name":"stochastic dynamics and bifurcation","score":0.011900000274181366,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear 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/transition-path-theory","display_name":"transition path theory","score":0.9259999990463257},{"id":"https://openalex.org/keywords/reaction-sequence","display_name":"reaction sequence","score":0.5120000243186951},{"id":"https://openalex.org/keywords/reaction-dynamics","display_name":"reaction dynamics","score":0.44999998807907104},{"id":"https://openalex.org/keywords/rare-events","display_name":"rare events","score":0.38600000739097595}],"concepts":[{"id":"https://openalex.org/C2777735758","wikidata":"https://www.wikidata.org/wiki/Q817765","display_name":"Path (computing)","level":2,"score":0.7885311841964722},{"id":"https://openalex.org/C177148314","wikidata":"https://www.wikidata.org/wiki/Q170084","display_name":"Generalization","level":2,"score":0.7391257286071777},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.6311858892440796},{"id":"https://openalex.org/C2778112365","wikidata":"https://www.wikidata.org/wiki/Q3511065","display_name":"Sequence (biology)","level":2,"score":0.5607224702835083},{"id":"https://openalex.org/C194232998","wikidata":"https://www.wikidata.org/wiki/Q1606712","display_name":"Transition (genetics)","level":3,"score":0.5256479978561401},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5148133635520935},{"id":"https://openalex.org/C57476982","wikidata":"https://www.wikidata.org/wiki/Q582857","display_name":"Transition state theory","level":4,"score":0.48389944434165955},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.466951459646225},{"id":"https://openalex.org/C90673727","wikidata":"https://www.wikidata.org/wiki/Q901718","display_name":"Product (mathematics)","level":2,"score":0.46208712458610535},{"id":"https://openalex.org/C89031862","wikidata":"https://www.wikidata.org/wiki/Q906964","display_name":"Transition state","level":3,"score":0.41838499903678894},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.35366666316986084},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.15468239784240723},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.14716729521751404},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.12970784306526184},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.1272832453250885},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.0926026999950409},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.0},{"id":"https://openalex.org/C93391505","wikidata":"https://www.wikidata.org/wiki/Q658700","display_name":"Reaction rate constant","level":3,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1063/5.0098587","doi":"https://doi.org/10.1063/5.0098587","is_oa":false,"landing_page_url":"https://doi.org/10.1063/5.0098587","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:9458294","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9458294","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"J Chem Phys","raw_type":"Text"},{"id":"pmid:36075728","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36075728","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,"listed_in":[],"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":"The Journal of chemical physics","raw_type":"Journal Article"},{"id":"pmh:oai:arXiv.org:2205.05067","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2205.05067","pdf_url":"https://arxiv.org/pdf/2205.05067","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"doi:10.48550/arxiv.2205.05067","doi":"https://doi.org/10.48550/arxiv.2205.05067","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2205.05067","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:9458294","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9458294","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"J Chem Phys","raw_type":"Text"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2851593048","display_name":"DMS/NIGMS 1: Design and Analysis of Machine Learning Approaches for Long Timescale Prediction from Short Trajectory Data","funder_award_id":"2054306","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G2922277056","display_name":null,"funder_award_id":"R35 GM136381","funder_id":"https://openalex.org/F4320337544","funder_display_name":"Office of Extramural Research, National Institutes of Health"},{"id":"https://openalex.org/G3612451085","display_name":"Rare-event simulation and analysis for elucidating mechanisms of development and disease","funder_award_id":"R35GM136381","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320309626","display_name":"University of Chicago","ror":"https://ror.org/024mw5h28"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"},{"id":"https://openalex.org/F4320337544","display_name":"Office of Extramural Research, National Institutes of Health","ror":"https://ror.org/05aq6yn88"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W1967722756","https://openalex.org/W1970440715","https://openalex.org/W2026134081","https://openalex.org/W2031843459","https://openalex.org/W2055484248","https://openalex.org/W2060302048","https://openalex.org/W2092144432","https://openalex.org/W2158323088","https://openalex.org/W2469262244","https://openalex.org/W2775190511","https://openalex.org/W2953988481","https://openalex.org/W3005982217","https://openalex.org/W3084346107","https://openalex.org/W3088655875","https://openalex.org/W3131170974","https://openalex.org/W3135650801","https://openalex.org/W4283376835"],"related_works":["https://openalex.org/W1967722756","https://openalex.org/W2531010919","https://openalex.org/W7096326605","https://openalex.org/W2083854892","https://openalex.org/W4283376835","https://openalex.org/W2158323088","https://openalex.org/W1972211002","https://openalex.org/W1637195664","https://openalex.org/W3106858708","https://openalex.org/W4243358287"],"abstract_inverted_index":{"Transition":[0],"path":[1,52],"theory":[2,53],"provides":[3],"a":[4,11,34,39,60],"statistical":[5],"description":[6],"of":[7,10,15,30,50,63,69],"the":[8,45,67],"dynamics":[9],"reaction":[12],"in":[13,56],"terms":[14],"local":[16],"spatial":[17],"quantities.":[18],"In":[19],"its":[20],"original":[21],"formulation,":[22],"it":[23],"is":[24],"limited":[25],"to":[26,38,54],"reactions":[27,55],"that":[28],"consist":[29],"trajectories":[31,58],"flowing":[32],"from":[33],"reactant":[35],"set":[36,41],"A":[37],"product":[40],"B.":[42],"We":[43],"extend":[44],"basic":[46],"concepts":[47],"and":[48,65],"principles":[49],"transition":[51],"which":[57],"exhibit":[59],"specified":[61],"sequence":[62],"events":[64],"illustrate":[66],"utility":[68],"this":[70],"generalization":[71],"on":[72],"examples.":[73]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2022-08-03T00:00:00"}