{"id":"https://openalex.org/W1908061979","doi":"https://doi.org/10.1109/cec.2001.934433","title":"Improving molecular simulation: a meta optimisation of Monte Carlo parameters","display_name":"Improving molecular simulation: a meta optimisation of Monte Carlo parameters","publication_year":2002,"publication_date":"2002-11-13","ids":{"openalex":"https://openalex.org/W1908061979","doi":"https://doi.org/10.1109/cec.2001.934433","mag":"1908061979"},"language":"en","primary_location":{"is_oa":false,"landing_page_url":"https://doi.org/10.1109/cec.2001.934433","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false},"type":"article","type_crossref":"proceedings-article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://evelyne.lutton.free.fr/Papers/23_CEC2001-354.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5077145121","display_name":"B.P. LeBlanc","orcid":"https://orcid.org/0000-0003-1455-0129"},"institutions":[{"id":"https://openalex.org/I265217849","display_name":"IFP \u00c9nergies nouvelles","ror":"https://ror.org/03gcbhc33","country_code":"FR","type":"funder","lineage":["https://openalex.org/I265217849"]},{"id":"https://openalex.org/I2540865","display_name":"Institut Fran\u00e7ais","ror":"https://ror.org/047hdnt12","country_code":"FR","type":"other","lineage":["https://openalex.org/I2540865"]},{"id":"https://openalex.org/I4210115519","display_name":"Centre de Recherche en Informatique","ror":"https://ror.org/020cdve92","country_code":"FR","type":"facility","lineage":["https://openalex.org/I190752583","https://openalex.org/I2746051580","https://openalex.org/I4210091621","https://openalex.org/I4210115519","https://openalex.org/I70768539"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"B. Leblanc","raw_affiliation_strings":["Institut Fran\u00e7ais du P\u00e9trole, France","Projet Fractales, Institut National de Recherche en Informatique et Automatique, Le Chesnay, France"],"affiliations":[{"raw_affiliation_string":"Institut Fran\u00e7ais du P\u00e9trole, France","institution_ids":["https://openalex.org/I265217849","https://openalex.org/I2540865"]},{"raw_affiliation_string":"Projet Fractales, Institut National de Recherche en Informatique et Automatique, Le Chesnay, France","institution_ids":["https://openalex.org/I4210115519"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003032765","display_name":"\u00c9velyne Lutton","orcid":"https://orcid.org/0000-0003-0889-4427"},"institutions":[{"id":"https://openalex.org/I4210115519","display_name":"Centre de Recherche en Informatique","ror":"https://ror.org/020cdve92","country_code":"FR","type":"facility","lineage":["https://openalex.org/I190752583","https://openalex.org/I2746051580","https://openalex.org/I4210091621","https://openalex.org/I4210115519","https://openalex.org/I70768539"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"E. Lutton","raw_affiliation_strings":["Projet Fractales, Institut National de Recherche en Informatique et Automatique, Le Chesnay, France"],"affiliations":[{"raw_affiliation_string":"Projet Fractales, Institut National de Recherche en Informatique et Automatique, Le Chesnay, France","institution_ids":["https://openalex.org/I4210115519"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080880716","display_name":"Bertrand Braunschweig","orcid":null},"institutions":[{"id":"https://openalex.org/I265217849","display_name":"IFP \u00c9nergies nouvelles","ror":"https://ror.org/03gcbhc33","country_code":"FR","type":"funder","lineage":["https://openalex.org/I265217849"]},{"id":"https://openalex.org/I2540865","display_name":"Institut Fran\u00e7ais","ror":"https://ror.org/047hdnt12","country_code":"FR","type":"other","lineage":["https://openalex.org/I2540865"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"B. Braunschweig","raw_affiliation_strings":["Institut Fran\u00e7ais du P\u00e9trole, France"],"affiliations":[{"raw_affiliation_string":"Institut Fran\u00e7ais du P\u00e9trole, France","institution_ids":["https://openalex.org/I265217849","https://openalex.org/I2540865"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5061063610","display_name":"H. Toulhoat","orcid":"https://orcid.org/0000-0001-8359-4454"},"institutions":[{"id":"https://openalex.org/I265217849","display_name":"IFP \u00c9nergies nouvelles","ror":"https://ror.org/03gcbhc33","country_code":"FR","type":"funder","lineage":["https://openalex.org/I265217849"]},{"id":"https://openalex.org/I2540865","display_name":"Institut Fran\u00e7ais","ror":"https://ror.org/047hdnt12","country_code":"FR","type":"other","lineage":["https://openalex.org/I2540865"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"H. Toulhoat","raw_affiliation_strings":["Institut Fran\u00e7ais du P\u00e9trole, France"],"affiliations":[{"raw_affiliation_string":"Institut Fran\u00e7ais du P\u00e9trole, France","institution_ids":["https://openalex.org/I265217849","https://openalex.org/I2540865"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.378,"has_fulltext":true,"fulltext_origin":"ngrams","cited_by_count":1,"citation_normalized_percentile":{"value":0.284056,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":57,"max":64},"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9987,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9987,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10474","display_name":"Material Dynamics and Properties","score":0.9942,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9912,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/parallel-tempering","display_name":"Parallel tempering","score":0.5379463}],"concepts":[{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.8344285},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.69239485},{"id":"https://openalex.org/C111350023","wikidata":"https://www.wikidata.org/wiki/Q1191869","display_name":"Markov chain Monte Carlo","level":3,"score":0.58459616},{"id":"https://openalex.org/C37669827","wikidata":"https://www.wikidata.org/wiki/Q6904703","display_name":"Monte Carlo molecular modeling","level":4,"score":0.58268005},{"id":"https://openalex.org/C204493344","wikidata":"https://www.wikidata.org/wiki/Q6904698","display_name":"Monte Carlo method in statistical physics","level":5,"score":0.57522595},{"id":"https://openalex.org/C13153151","wikidata":"https://www.wikidata.org/wiki/Q1639846","display_name":"Hybrid Monte Carlo","level":4,"score":0.5582788},{"id":"https://openalex.org/C187653413","wikidata":"https://www.wikidata.org/wiki/Q7135015","display_name":"Parallel tempering","level":5,"score":0.5379463},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.48393136},{"id":"https://openalex.org/C140779682","wikidata":"https://www.wikidata.org/wiki/Q210868","display_name":"Sampling (signal processing)","level":3,"score":0.47314513},{"id":"https://openalex.org/C122592724","wikidata":"https://www.wikidata.org/wiki/Q3855635","display_name":"Dynamic Monte Carlo method","level":3,"score":0.4156077},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.381461},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.144568},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09728217},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.08503178},{"id":"https://openalex.org/C106131492","wikidata":"https://www.wikidata.org/wiki/Q3072260","display_name":"Filter (signal processing)","level":2,"score":0.0},{"id":"https://openalex.org/C31972630","wikidata":"https://www.wikidata.org/wiki/Q844240","display_name":"Computer vision","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"is_oa":false,"landing_page_url":"https://doi.org/10.1109/cec.2001.934433","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false},{"is_oa":true,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.660.9653","pdf_url":"http://evelyne.lutton.free.fr/Papers/23_CEC2001-354.pdf","source":{"id":"https://openalex.org/S4306400349","display_name":"CiteSeer X (The Pennsylvania State University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I130769515","host_organization_name":"Pennsylvania State University","host_organization_lineage":["https://openalex.org/I130769515"],"host_organization_lineage_names":["Pennsylvania State University"],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false}],"best_oa_location":{"is_oa":true,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.660.9653","pdf_url":"http://evelyne.lutton.free.fr/Papers/23_CEC2001-354.pdf","source":{"id":"https://openalex.org/S4306400349","display_name":"CiteSeer X (The Pennsylvania State University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I130769515","host_organization_name":"Pennsylvania State University","host_organization_lineage":["https://openalex.org/I130769515"],"host_organization_lineage_names":["Pennsylvania State University"],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false},"sustainable_development_goals":[],"grants":[],"datasets":[],"versions":[],"referenced_works_count":8,"referenced_works":["https://openalex.org/W1495674255","https://openalex.org/W1607768087","https://openalex.org/W1975353473","https://openalex.org/W2003670327","https://openalex.org/W2012986398","https://openalex.org/W2013979082","https://openalex.org/W2056760934","https://openalex.org/W4234347480"],"related_works":["https://openalex.org/W79101515","https://openalex.org/W4367155567","https://openalex.org/W4294677683","https://openalex.org/W417206321","https://openalex.org/W2504969732","https://openalex.org/W2080132440","https://openalex.org/W2042464293","https://openalex.org/W2016177419","https://openalex.org/W2001072740","https://openalex.org/W1526488073"],"abstract_inverted_index":{"We":[0],"present":[1],"a":[2,70],"new":[3],"approach":[4,46],"to":[5,26,35],"performing":[6],"molecular":[7],"simulations":[8,54],"using":[9],"evolutionary":[10],"algorithms.":[11],"The":[12],"main":[13],"application":[14],"is":[15,25,47],"the":[16,23,28,40,56],"simulation":[17],"of":[18,30,55,69],"dense":[19],"amorphous":[20],"polymers":[21],"and":[22],"goal":[24],"improve":[27],"efficiency":[29],"sampling,":[31],"in":[32],"other":[33],"words":[34],"obtain":[36],"valid":[37],"samples":[38],"from":[39],"phase":[41],"state":[42],"more":[43],"rapidly.":[44],"Our":[45],"based":[48],"on":[49],"parallel":[50],"Markovian":[51],"Monte":[52,64],"Carlo":[53,65],"same":[57],"physico-chemical":[58],"system,":[59],"where":[60],"we":[61],"optimise":[62],"some":[63],"parameters":[66],"by":[67],"means":[68],"real":[71],"coded":[72],"genetic":[73],"algorithm.":[74]},"abstract_inverted_index_v3":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W1908061979","counts_by_year":[],"updated_date":"2025-03-18T01:24:47.071629","created_date":"2016-06-24"}