{"id":"https://openalex.org/W4223484950","doi":"https://doi.org/10.1039/d2sm00200k","title":"A coarse-grained model for capturing the helical behavior of isotactic polypropylene","display_name":"A coarse-grained model for capturing the helical behavior of isotactic polypropylene","publication_year":2022,"publication_date":"2022-01-01","ids":{"openalex":"https://openalex.org/W4223484950","doi":"https://doi.org/10.1039/d2sm00200k","pmid":"https://pubmed.ncbi.nlm.nih.gov/35373807"},"language":"en","primary_location":{"id":"doi:10.1039/d2sm00200k","doi":"https://doi.org/10.1039/d2sm00200k","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d2sm00200k","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2022/sm/d2sm00200k","source":{"id":"https://openalex.org/S6377669","display_name":"Soft Matter","issn_l":"1744-683X","issn":["1744-683X","1744-6848"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","medline","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Soft Matter","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.rsc.org/en/content/articlepdf/2022/sm/d2sm00200k","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5005347854","display_name":"Nikolaos I. Sigalas","orcid":"https://orcid.org/0000-0002-5184-433X","observed_orcids":["https://orcid.org/0000-0002-5184-433X"]},"institutions":[{"id":"https://openalex.org/I4210106403","display_name":"Dutch Polymer Institute","ror":"https://ror.org/01m71fs94","country_code":"NL","type":"facility","lineage":["https://openalex.org/I4210106403"]},{"id":"https://openalex.org/I83019370","display_name":"Eindhoven University of Technology","ror":"https://ror.org/02c2kyt77","country_code":"NL","type":"education","lineage":["https://openalex.org/I83019370"]}],"countries":["NL"],"is_corresponding":true,"raw_author_name":"Nikolaos I. Sigalas","raw_affiliation_strings":["Dutch Polymer Institute, P.O. Box 902, 5600 AX Eindhoven, The Netherlands","Soft Matter and Biological Physics Group, Department of Applied Physics, Technische Universiteit Eindhoven, 5600, MB, Eindhoven, The Netherlands"],"raw_orcid":"https://orcid.org/0000-0002-5184-433X","affiliations":[{"raw_affiliation_string":"Dutch Polymer Institute, P.O. Box 902, 5600 AX Eindhoven, The Netherlands","institution_ids":["https://openalex.org/I4210106403"]},{"raw_affiliation_string":"Soft Matter and Biological Physics Group, Department of Applied Physics, Technische Universiteit Eindhoven, 5600, MB, Eindhoven, The Netherlands","institution_ids":["https://openalex.org/I83019370"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021406805","display_name":"Stefanos D. Anogiannakis","orcid":"https://orcid.org/0000-0001-9766-2243","observed_orcids":["https://orcid.org/0000-0001-9766-2243"]},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]},{"id":"https://openalex.org/I4210106403","display_name":"Dutch Polymer Institute","ror":"https://ror.org/01m71fs94","country_code":"NL","type":"facility","lineage":["https://openalex.org/I4210106403"]}],"countries":["GR","NL"],"is_corresponding":false,"raw_author_name":"Stefanos D. Anogiannakis","raw_affiliation_strings":["Computational Materials Science and Engineering Group, School of Chemical Engineering, National Technical University of Athens (NTUA), GR-15780 Athens, Greece","Dutch Polymer Institute, P.O. Box 902, 5600 AX Eindhoven, The Netherlands"],"raw_orcid":"https://orcid.org/0000-0001-9766-2243","affiliations":[{"raw_affiliation_string":"Computational Materials Science and Engineering Group, School of Chemical Engineering, National Technical University of Athens (NTUA), GR-15780 Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":"Dutch Polymer Institute, P.O. Box 902, 5600 AX Eindhoven, The Netherlands","institution_ids":["https://openalex.org/I4210106403"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024938252","display_name":"Doros Nicolas Theodorou","orcid":"https://orcid.org/0000-0002-4763-9739","observed_orcids":["https://orcid.org/0000-0002-4763-9739"]},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]},{"id":"https://openalex.org/I4210106403","display_name":"Dutch Polymer Institute","ror":"https://ror.org/01m71fs94","country_code":"NL","type":"facility","lineage":["https://openalex.org/I4210106403"]}],"countries":["GR","NL"],"is_corresponding":false,"raw_author_name":"Doros N. Theodorou","raw_affiliation_strings":["Computational Materials Science and Engineering Group, School of Chemical Engineering, National Technical University of Athens (NTUA), GR-15780 Athens, Greece","Dutch Polymer Institute, P.O. Box 902, 5600 AX Eindhoven, The Netherlands"],"raw_orcid":"https://orcid.org/0000-0002-4763-9739","affiliations":[{"raw_affiliation_string":"Computational Materials Science and Engineering Group, School of Chemical Engineering, National Technical University of Athens (NTUA), GR-15780 Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":"Dutch Polymer Institute, P.O. Box 902, 5600 AX Eindhoven, The Netherlands","institution_ids":["https://openalex.org/I4210106403"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000805887","display_name":"Alexey V. Lyulin","orcid":"https://orcid.org/0000-0002-7533-3366","observed_orcids":["https://orcid.org/0000-0002-7533-3366"]},"institutions":[{"id":"https://openalex.org/I83019370","display_name":"Eindhoven University of Technology","ror":"https://ror.org/02c2kyt77","country_code":"NL","type":"education","lineage":["https://openalex.org/I83019370"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Alexey V. Lyulin","raw_affiliation_strings":["Center for Computational Energy Research (CCER), P.O. Box 513, 5600 MB Eindhoven, The Netherlands","Soft Matter and Biological Physics Group, Department of Applied Physics, Technische Universiteit Eindhoven, 5600, MB, Eindhoven, The Netherlands"],"raw_orcid":"https://orcid.org/0000-0002-7533-3366","affiliations":[{"raw_affiliation_string":"Center for Computational Energy Research (CCER), P.O. Box 513, 5600 MB Eindhoven, The Netherlands","institution_ids":["https://openalex.org/I83019370"]},{"raw_affiliation_string":"Soft Matter and Biological Physics Group, Department of Applied Physics, Technische Universiteit Eindhoven, 5600, MB, Eindhoven, The Netherlands","institution_ids":["https://openalex.org/I83019370"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5005347854"],"corresponding_institution_ids":["https://openalex.org/I4210106403","https://openalex.org/I83019370"],"apc_list":null,"apc_paid":null,"fwci":0.499,"has_fulltext":true,"cited_by_count":7,"citation_normalized_percentile":{"value":0.49853628,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"18","issue":"15","first_page":"3076","last_page":"3086"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10389","display_name":"Polymer crystallization and properties","score":0.5570999979972839,"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"}},"topics":[{"id":"https://openalex.org/T10389","display_name":"Polymer crystallization and properties","score":0.5570999979972839,"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"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.3718000054359436,"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/T11379","display_name":"Rheology and Fluid Dynamics Studies","score":0.01119999960064888,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/isotactic-polypropylene","display_name":"isotactic polypropylene","score":0.9879999756813049},{"id":"https://openalex.org/keywords/helical-polymers","display_name":"helical polymers","score":0.9340000152587891},{"id":"https://openalex.org/keywords/coarse-grained-force-field","display_name":"coarse-grained force field","score":0.9769999980926514},{"id":"https://openalex.org/keywords/martini-force-field","display_name":"Martini force field","score":0.9330000281333923},{"id":"https://openalex.org/keywords/polymer-crystallization","display_name":"polymer crystallization","score":0.7889999747276306},{"id":"https://openalex.org/keywords/characteristic-ratio","display_name":"characteristic ratio","score":0.8389999866485596},{"id":"https://openalex.org/keywords/entanglement-molecular-weight","display_name":"entanglement molecular weight","score":0.9279999732971191},{"id":"https://openalex.org/keywords/solubility-parameter","display_name":"solubility parameter","score":0.9750000238418579}],"concepts":[{"id":"https://openalex.org/C58018886","wikidata":"https://www.wikidata.org/wiki/Q372660","display_name":"Tacticity","level":4,"score":0.9299429059028625},{"id":"https://openalex.org/C177774035","wikidata":"https://www.wikidata.org/wiki/Q1246948","display_name":"Granularity","level":2,"score":0.6691619753837585},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.6288698315620422},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.5811452269554138},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5757594704627991},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5614629983901978},{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.5282201766967773},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.4973643124103546},{"id":"https://openalex.org/C121040770","wikidata":"https://www.wikidata.org/wiki/Q215675","display_name":"Quantum entanglement","level":3,"score":0.4764825999736786},{"id":"https://openalex.org/C2777973245","wikidata":"https://www.wikidata.org/wiki/Q146174","display_name":"Polypropylene","level":2,"score":0.4611726999282837},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.4566149115562439},{"id":"https://openalex.org/C199185054","wikidata":"https://www.wikidata.org/wiki/Q552299","display_name":"Chain (unit)","level":2,"score":0.4372987151145935},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.25595033168792725},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.19434049725532532},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.17157158255577087},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.14200052618980408},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.10651510953903198},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.09825059771537781},{"id":"https://openalex.org/C44228677","wikidata":"https://www.wikidata.org/wiki/Q181898","display_name":"Polymerization","level":3,"score":0.08705350756645203},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.07486853003501892},{"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/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","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/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1039/d2sm00200k","doi":"https://doi.org/10.1039/d2sm00200k","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d2sm00200k","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2022/sm/d2sm00200k","source":{"id":"https://openalex.org/S6377669","display_name":"Soft Matter","issn_l":"1744-683X","issn":["1744-683X","1744-6848"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","medline","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Soft Matter","raw_type":"journal-article"},{"id":"pmid:35373807","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35373807","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":"Soft matter","raw_type":"Journal Article"},{"id":"pmh:oai:pure.tue.nl:openaire/0de5b3c9-0dbd-439d-9e45-6891f3ad02e8","doi":null,"is_oa":true,"landing_page_url":"https://research.tue.nl/en/publications/0de5b3c9-0dbd-439d-9e45-6891f3ad02e8","pdf_url":null,"source":{"id":"https://openalex.org/S4406922641","display_name":"TU/e Research Portal","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Sigalas, N I, Anogiannakis, S D, Theodorou, D N & Lyulin, A V 2022, 'A coarse-grained model for capturing the helical behavior of isotactic polypropylene', Soft Matter, vol. 18, no. 15, pp. 3076-3086. https://doi.org/10.1039/d2sm00200k","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:tue:oai:pure.tue.nl:publications/0de5b3c9-0dbd-439d-9e45-6891f3ad02e8","doi":null,"is_oa":true,"landing_page_url":"https://research.tue.nl/nl/publications/0de5b3c9-0dbd-439d-9e45-6891f3ad02e8","pdf_url":null,"source":{"id":"https://openalex.org/S4406922641","display_name":"TU/e Research Portal","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Soft Matter, 18(15), 3076 - 3086. Royal Society of Chemistry","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1039/d2sm00200k","doi":"https://doi.org/10.1039/d2sm00200k","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d2sm00200k","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2022/sm/d2sm00200k","source":{"id":"https://openalex.org/S6377669","display_name":"Soft Matter","issn_l":"1744-683X","issn":["1744-683X","1744-6848"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","medline","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Soft Matter","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G7722826419","display_name":"PO-stretched: molecular dynamics modelling of polypropylene crystallization under stretching","funder_award_id":"2022.029","funder_id":"https://openalex.org/F4320321800","funder_display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek"}],"funders":[{"id":"https://openalex.org/F4320321800","display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek","ror":"https://ror.org/04jsz6e67"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4223484950.pdf","grobid_xml":"https://content.openalex.org/works/W4223484950.grobid-xml"},"referenced_works_count":59,"referenced_works":["https://openalex.org/W1966030549","https://openalex.org/W1974202446","https://openalex.org/W1974607276","https://openalex.org/W1976451683","https://openalex.org/W1978656738","https://openalex.org/W1981498694","https://openalex.org/W1988614057","https://openalex.org/W1992330995","https://openalex.org/W2002952493","https://openalex.org/W2005245447","https://openalex.org/W2005992135","https://openalex.org/W2006298655","https://openalex.org/W2008638593","https://openalex.org/W2010185120","https://openalex.org/W2019814884","https://openalex.org/W2024849029","https://openalex.org/W2024854055","https://openalex.org/W2027090886","https://openalex.org/W2029723863","https://openalex.org/W2032504774","https://openalex.org/W2036547928","https://openalex.org/W2052857741","https://openalex.org/W2053610801","https://openalex.org/W2057991237","https://openalex.org/W2058583892","https://openalex.org/W2062761836","https://openalex.org/W2065061604","https://openalex.org/W2065391149","https://openalex.org/W2067839394","https://openalex.org/W2069085854","https://openalex.org/W2069542451","https://openalex.org/W2071523173","https://openalex.org/W2071563947","https://openalex.org/W2072913596","https://openalex.org/W2076162270","https://openalex.org/W2079603500","https://openalex.org/W2079731402","https://openalex.org/W2081693079","https://openalex.org/W2091050416","https://openalex.org/W2098474447","https://openalex.org/W2119267663","https://openalex.org/W2131404542","https://openalex.org/W2136281354","https://openalex.org/W2159565091","https://openalex.org/W2171268876","https://openalex.org/W2217853323","https://openalex.org/W2283609558","https://openalex.org/W2314659927","https://openalex.org/W2316516942","https://openalex.org/W2323178299","https://openalex.org/W2409866020","https://openalex.org/W2621278096","https://openalex.org/W2809037523","https://openalex.org/W2889350587","https://openalex.org/W2993621665","https://openalex.org/W3043913692","https://openalex.org/W4241938123","https://openalex.org/W4244370844","https://openalex.org/W4256173307"],"related_works":["https://openalex.org/W2065061604","https://openalex.org/W7128698567","https://openalex.org/W2085775782","https://openalex.org/W2136815817","https://openalex.org/W1981643373","https://openalex.org/W2005880753","https://openalex.org/W1965858997","https://openalex.org/W2065000052","https://openalex.org/W1995313262","https://openalex.org/W2462510306"],"abstract_inverted_index":{"Understanding":[0],"the":[1,17,77,87,95,97,112,125,128],"process-property":[2],"relations":[3],"of":[4,90,127,150],"helical":[5,88],"polymers":[6],"using":[7],"molecular":[8,107],"simulations":[9],"has":[10,140],"been":[11,141],"an":[12,47,143],"attractive":[13],"research":[14],"field":[15],"over":[16],"years.":[18],"Specifically,":[19],"isotactic":[20,91],"polypropylene":[21],"still":[22],"remains":[23],"a":[24,71,133,151,156],"challenge":[25],"for":[26,50],"current":[27],"computational":[28],"experimentation,":[29],"as":[30,35],"it":[31],"exhibits":[32],"phenomena":[33],"such":[34,52],"crystallization":[36],"that":[37,82],"emerge":[38],"on":[39,76],"large":[40],"spatial":[41],"and":[42,63,100,120],"temporal":[43],"scales.":[44],"Coarse-graining":[45],"is":[46,83],"efficient":[48,144],"technique":[49],"approaching":[51],"phenomena,":[53],"although":[54],"previous":[55,117],"coarse-grained":[56,73,130],"models":[57],"lack":[58],"in":[59,111],"preserving":[60],"important":[61],"atomistic":[62],"structural":[64,101],"details.":[65],"In":[66],"this":[67],"paper":[68],"we":[69],"develop":[70],"new":[72,129],"model,":[74,96],"based":[75],"popular":[78],"MARTINI":[79],"force":[80,131],"field,":[81,132],"able":[84],"to":[85],"reproduce":[86],"behavior":[89],"polypropylene.":[92],"To":[93],"test":[94],"predicted":[98],"statistical":[99],"properties":[102],"(characteristic":[103],"ratio,":[104],"density,":[105],"entanglement":[106],"weight,":[108],"solubility":[109],"parameter":[110],"melt)":[113],"are":[114],"compared":[115],"with":[116],"simulation":[118],"results":[119],"available":[121],"experimental":[122],"data.":[123],"For":[124],"development":[126],"single":[134,157],"unperturbed":[135],"chain":[136],"Monte":[137],"Carlo":[138],"algorithm":[139,145],"implemented:":[142],"which":[146],"samples":[147],"conformations":[148],"representative":[149],"melt":[152],"by":[153],"simulating":[154],"just":[155],"chain.":[158]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":1}],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2022-04-15T00:00:00"}
