{"id":"https://openalex.org/W2526761628","doi":"https://doi.org/10.1002/jcc.24495","title":"A kinetic chain growth algorithm in coarse-grained simulations","display_name":"A kinetic chain growth algorithm in coarse-grained simulations","publication_year":2016,"publication_date":"2016-09-28","ids":{"openalex":"https://openalex.org/W2526761628","doi":"https://doi.org/10.1002/jcc.24495","mag":"2526761628","pmid":"https://pubmed.ncbi.nlm.nih.gov/27678268"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.24495","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.24495","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100683942","display_name":"Hong Liu","orcid":"https://orcid.org/0000-0002-7256-5751"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]},{"id":"https://openalex.org/I4391768123","display_name":"State Key Laboratory of Supramolecular Structure and Materials","ror":"https://ror.org/02xf8rf51","country_code":null,"type":"facility","lineage":["https://openalex.org/I194450716","https://openalex.org/I4391768123"]},{"id":"https://openalex.org/I31512782","display_name":"Technical University of Darmstadt","ror":"https://ror.org/05n911h24","country_code":"DE","type":"education","lineage":["https://openalex.org/I31512782"]}],"countries":["CN","DE"],"is_corresponding":true,"raw_author_name":"Hong Liu","raw_affiliation_strings":["Eduard-Zintl-Institut f\u00fcr Anorganische und Physikalische Chemie, Technische Universit\u00e4t; Darmstadt 64287 Deutschland","State Key Laboratory of Supramolecular Structure and Materials; Institute of Theoretical Chemistry, Jilin University; Changchun 130021 China","State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, Jilin University, Changchun, 130021 China","These authors contributed equally to this work"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eduard-Zintl-Institut f\u00fcr Anorganische und Physikalische Chemie, Technische Universit\u00e4t; Darmstadt 64287 Deutschland","institution_ids":["https://openalex.org/I31512782"]},{"raw_affiliation_string":"State Key Laboratory of Supramolecular Structure and Materials; Institute of Theoretical Chemistry, Jilin University; Changchun 130021 China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, Jilin University, Changchun, 130021 China","institution_ids":["https://openalex.org/I194450716","https://openalex.org/I4391768123"]},{"raw_affiliation_string":"These authors contributed equally to this work","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100346078","display_name":"You\u2010Liang Zhu","orcid":"https://orcid.org/0000-0002-9561-0770"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210152478","display_name":"State Key Laboratory of Polymer Physics and Chemistry","ror":"https://ror.org/05vy7se14","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I19820366","https://openalex.org/I4210092888","https://openalex.org/I4210152478","https://openalex.org/I4210155088"]},{"id":"https://openalex.org/I4210092888","display_name":"Changchun Institute of Applied Chemistry","ror":"https://ror.org/00h52n341","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210092888"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"You-Liang Zhu","raw_affiliation_strings":["State Key Laboratory of Polymer Physics and Chemistry; Changchun Institute of Applied Chemistry, Chinese Academy of Sciences; Changchun 130022 China","State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022 China","These authors contributed equally to this work"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Polymer Physics and Chemistry; Changchun Institute of Applied Chemistry, Chinese Academy of Sciences; Changchun 130022 China","institution_ids":["https://openalex.org/I4210152478","https://openalex.org/I19820366","https://openalex.org/I4210092888"]},{"raw_affiliation_string":"State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022 China","institution_ids":["https://openalex.org/I4210152478","https://openalex.org/I19820366","https://openalex.org/I4210092888"]},{"raw_affiliation_string":"These authors contributed equally to this work","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086545796","display_name":"Zhong\u2010Yuan Lu","orcid":"https://orcid.org/0000-0001-7884-0091"},"institutions":[{"id":"https://openalex.org/I4391768123","display_name":"State Key Laboratory of Supramolecular Structure and Materials","ror":"https://ror.org/02xf8rf51","country_code":null,"type":"facility","lineage":["https://openalex.org/I194450716","https://openalex.org/I4391768123"]},{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhong-Yuan Lu","raw_affiliation_strings":["State Key Laboratory of Supramolecular Structure and Materials; Institute of Theoretical Chemistry, Jilin University; Changchun 130021 China","State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, Jilin University, Changchun, 130021 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Supramolecular Structure and Materials; Institute of Theoretical Chemistry, Jilin University; Changchun 130021 China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, Jilin University, Changchun, 130021 China","institution_ids":["https://openalex.org/I194450716","https://openalex.org/I4391768123"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5031860925","display_name":"Florian M\u00fcller\u2010Plathe","orcid":"https://orcid.org/0000-0002-9111-7786"},"institutions":[{"id":"https://openalex.org/I31512782","display_name":"Technical University of Darmstadt","ror":"https://ror.org/05n911h24","country_code":"DE","type":"education","lineage":["https://openalex.org/I31512782"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Florian M\u00fcller-Plathe","raw_affiliation_strings":["Eduard-Zintl-Institut f\u00fcr Anorganische und Physikalische Chemie, Technische Universit\u00e4t; Darmstadt 64287 Deutschland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eduard-Zintl-Institut f\u00fcr Anorganische und Physikalische Chemie, Technische Universit\u00e4t; Darmstadt 64287 Deutschland","institution_ids":["https://openalex.org/I31512782"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5100683942"],"corresponding_institution_ids":["https://openalex.org/I194450716","https://openalex.org/I31512782","https://openalex.org/I4391768123"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":3.3413,"has_fulltext":false,"cited_by_count":80,"citation_normalized_percentile":{"value":0.92524088,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"37","issue":"30","first_page":"2634","last_page":"2646"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11471","display_name":"Block Copolymer Self-Assembly","score":0.9998999834060669,"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"}},"topics":[{"id":"https://openalex.org/T11471","display_name":"Block Copolymer Self-Assembly","score":0.9998999834060669,"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/T10405","display_name":"Advanced Polymer Synthesis and Characterization","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T10389","display_name":"Polymer crystallization and properties","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2507","display_name":"Polymers and Plastics"},"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/polymerization","display_name":"Polymerization","score":0.6990064382553101},{"id":"https://openalex.org/keywords/polystyrene","display_name":"Polystyrene","score":0.5677821636199951},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4857659637928009},{"id":"https://openalex.org/keywords/polymer","display_name":"Polymer","score":0.48418477177619934},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.4710668921470642},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.450663685798645},{"id":"https://openalex.org/keywords/monomer","display_name":"Monomer","score":0.43717527389526367},{"id":"https://openalex.org/keywords/styrene","display_name":"Styrene","score":0.42869535088539124},{"id":"https://openalex.org/keywords/kinetic-energy","display_name":"Kinetic energy","score":0.41266560554504395},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.4081175625324249},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.40378817915916443},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.37797850370407104},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3663807511329651},{"id":"https://openalex.org/keywords/copolymer","display_name":"Copolymer","score":0.2405809462070465},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.13579925894737244}],"concepts":[{"id":"https://openalex.org/C44228677","wikidata":"https://www.wikidata.org/wiki/Q181898","display_name":"Polymerization","level":3,"score":0.6990064382553101},{"id":"https://openalex.org/C2777922577","wikidata":"https://www.wikidata.org/wiki/Q146243","display_name":"Polystyrene","level":3,"score":0.5677821636199951},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4857659637928009},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.48418477177619934},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4710668921470642},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.450663685798645},{"id":"https://openalex.org/C166940927","wikidata":"https://www.wikidata.org/wiki/Q178827","display_name":"Monomer","level":3,"score":0.43717527389526367},{"id":"https://openalex.org/C2777566558","wikidata":"https://www.wikidata.org/wiki/Q28917","display_name":"Styrene","level":4,"score":0.42869535088539124},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.41266560554504395},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4081175625324249},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.40378817915916443},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.37797850370407104},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3663807511329651},{"id":"https://openalex.org/C15920480","wikidata":"https://www.wikidata.org/wiki/Q421281","display_name":"Copolymer","level":3,"score":0.2405809462070465},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.13579925894737244},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.24495","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.24495","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmid:27678268","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/27678268","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 computational chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G3254017258","display_name":null,"funder_award_id":"21474042","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3956147119","display_name":null,"funder_award_id":"2012CB821500","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G8299623317","display_name":"\u78b3\u7ea4\u7ef4/\u6811\u8102\u754c\u9762\u5f62\u6210\u8fc7\u7a0b\u7684\u6269\u6563\u53cd\u5e94\u5206\u5b50\u6a21\u62df\u4e0e\u673a\u7406\u7814\u7a76","funder_award_id":"51273007","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8599464598","display_name":null,"funder_award_id":"21534004","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320308269","display_name":"Alexander von Humboldt-Stiftung","ror":"https://ror.org/012kf4317"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":57,"referenced_works":["https://openalex.org/W1965479499","https://openalex.org/W1968315937","https://openalex.org/W1970798162","https://openalex.org/W1971232585","https://openalex.org/W1973847610","https://openalex.org/W1974870929","https://openalex.org/W1975572318","https://openalex.org/W1978002033","https://openalex.org/W1978590750","https://openalex.org/W1984425398","https://openalex.org/W1984566448","https://openalex.org/W1985997303","https://openalex.org/W1988356031","https://openalex.org/W1988510162","https://openalex.org/W1989984662","https://openalex.org/W1994007484","https://openalex.org/W1999177837","https://openalex.org/W2006732388","https://openalex.org/W2010264117","https://openalex.org/W2014612156","https://openalex.org/W2016472017","https://openalex.org/W2023371061","https://openalex.org/W2029723863","https://openalex.org/W2032183799","https://openalex.org/W2032655419","https://openalex.org/W2037613645","https://openalex.org/W2041225974","https://openalex.org/W2041244891","https://openalex.org/W2045779832","https://openalex.org/W2054974199","https://openalex.org/W2056624575","https://openalex.org/W2064681394","https://openalex.org/W2068128363","https://openalex.org/W2068502964","https://openalex.org/W2075725770","https://openalex.org/W2078402834","https://openalex.org/W2079950996","https://openalex.org/W2090913292","https://openalex.org/W2092605174","https://openalex.org/W2113029072","https://openalex.org/W2113189285","https://openalex.org/W2120374282","https://openalex.org/W2134222650","https://openalex.org/W2140116085","https://openalex.org/W2146462263","https://openalex.org/W2155155530","https://openalex.org/W2159565091","https://openalex.org/W2169135284","https://openalex.org/W2169265118","https://openalex.org/W2237413047","https://openalex.org/W2320551933","https://openalex.org/W2325330564","https://openalex.org/W2334583171","https://openalex.org/W2949122505","https://openalex.org/W3102210029","https://openalex.org/W3106268557","https://openalex.org/W4240817879"],"related_works":["https://openalex.org/W2067311763","https://openalex.org/W4234495478","https://openalex.org/W2009195606","https://openalex.org/W4247329004","https://openalex.org/W100168687","https://openalex.org/W2318906574","https://openalex.org/W1995288998","https://openalex.org/W2364215504","https://openalex.org/W2052907652","https://openalex.org/W2104699627"],"abstract_inverted_index":{"We":[0],"propose":[1],"a":[2,21,85],"kinetic":[3],"chain":[4,62,120],"growth":[5,63],"algorithm":[6,28,96,127,146],"for":[7],"coarse-grained":[8],"(CG)":[9],"simulations":[10,67],"in":[11,53,65,152],"this":[12,95,126,153],"work.":[13],"By":[14,55],"defining":[15],"the":[16,33,49,57,60,69,72,81,100,106,134,141],"reaction":[17,75,91],"probability,":[18],"it":[19,83,110],"delivers":[20],"description":[22],"of":[23,35,51,105,115,119,138,143],"consecutive":[24],"polymerization":[25,86],"process.":[26],"This":[27],"is":[29,44],"validated":[30],"by":[31],"modeling":[32],"process":[34,64,87,142],"individual":[36],"styrene":[37],"monomers":[38],"polymerizing":[39],"into":[40],"polystyrene":[41],"chains,":[42],"which":[43],"proved":[45],"to":[46,74,80,132],"correctly":[47],"reproduce":[48],"properties":[50],"polymers":[52,139],"experiments.":[54],"bridging":[56],"relationship":[58],"between":[59],"generic":[61],"CG":[66,117],"and":[68,102,148],"chemical":[70],"details,":[71],"impediment":[73],"can":[76,97,128],"be":[77,129],"reflected.":[78],"Regarding":[79],"kinetics,":[82],"models":[84,118],"with":[88,140],"an":[89],"Arrhenius-type":[90],"rate":[92],"coefficient.":[93],"Moreover,":[94],"model":[98],"both":[99],"gradual":[101],"jump":[103],"processes":[104],"bond":[107],"formation,":[108],"thus":[109],"readily":[111],"encompasses":[112],"several":[113],"kinds":[114],"previous":[116],"growth.":[121],"With":[122],"conducting":[123],"smooth":[124],"simulations,":[125],"potentially":[130],"applied":[131],"describe":[133],"variable":[135],"macroscopic":[136],"features":[137],"polymerization.":[144],"The":[145],"details":[147],"techniques":[149],"are":[150],"introduced":[151],"article.":[154],"\u00a9":[155],"2016":[156],"Wiley":[157],"Periodicals,":[158],"Inc.":[159]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":15},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":9},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":11},{"year":2017,"cited_by_count":3}],"updated_date":"2026-06-06T09:05:17.133730","created_date":"2025-10-10T00:00:00"}
