{"id":"https://openalex.org/W2808035623","doi":"https://doi.org/10.1063/1.5029336","title":"Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces","display_name":"Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces","publication_year":2018,"publication_date":"2018-06-27","ids":{"openalex":"https://openalex.org/W2808035623","doi":"https://doi.org/10.1063/1.5029336","mag":"2808035623","pmid":"https://pubmed.ncbi.nlm.nih.gov/30134662"},"language":"en","primary_location":{"id":"doi:10.1063/1.5029336","doi":"https://doi.org/10.1063/1.5029336","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.5029336","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://arxiv.org/pdf/1806.06131","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5090274363","display_name":"Philipp Pedevilla","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2801237587","display_name":"London Centre for Nanotechnology","ror":"https://ror.org/04ptp8872","country_code":"GB","type":"facility","lineage":["https://openalex.org/I2801237587"]},{"id":"https://openalex.org/I330495657","display_name":"Thomas Young Centre","ror":"https://ror.org/03hdrgy42","country_code":"GB","type":"other","lineage":["https://openalex.org/I330495657"]},{"id":"https://openalex.org/I45129253","display_name":"University College London","ror":"https://ror.org/02jx3x895","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I45129253"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Philipp Pedevilla","raw_affiliation_strings":["Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London 1 , Gower Street, London WC1E 6BT, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London 1 , Gower Street, London WC1E 6BT, United Kingdom","institution_ids":["https://openalex.org/I2801237587","https://openalex.org/I330495657","https://openalex.org/I45129253"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005213202","display_name":"Martin Fitzner","orcid":"https://orcid.org/0000-0001-6790-4301","observed_orcids":["https://orcid.org/0000-0001-6790-4301"]},"institutions":[{"id":"https://openalex.org/I2801237587","display_name":"London Centre for Nanotechnology","ror":"https://ror.org/04ptp8872","country_code":"GB","type":"facility","lineage":["https://openalex.org/I2801237587"]},{"id":"https://openalex.org/I330495657","display_name":"Thomas Young Centre","ror":"https://ror.org/03hdrgy42","country_code":"GB","type":"other","lineage":["https://openalex.org/I330495657"]},{"id":"https://openalex.org/I45129253","display_name":"University College London","ror":"https://ror.org/02jx3x895","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I45129253"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Martin Fitzner","raw_affiliation_strings":["Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London 1 , Gower Street, London WC1E 6BT, United Kingdom"],"raw_orcid":"https://orcid.org/0000-0001-6790-4301","affiliations":[{"raw_affiliation_string":"Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London 1 , Gower Street, London WC1E 6BT, United Kingdom","institution_ids":["https://openalex.org/I2801237587","https://openalex.org/I330495657","https://openalex.org/I45129253"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032441712","display_name":"Gabriele Cesare Sosso","orcid":"https://orcid.org/0000-0002-6156-7399","observed_orcids":["https://orcid.org/0000-0002-6156-7399"]},"institutions":[{"id":"https://openalex.org/I39555362","display_name":"University of Warwick","ror":"https://ror.org/01a77tt86","country_code":"GB","type":"education","lineage":["https://openalex.org/I39555362"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Gabriele C. Sosso","raw_affiliation_strings":["Department of Chemistry and Centre for Scientific Computing, University of Warwick 2 , Gibbet Hill Road, Coventry CV4 7AL, United Kingdom"],"raw_orcid":"https://orcid.org/0000-0002-6156-7399","affiliations":[{"raw_affiliation_string":"Department of Chemistry and Centre for Scientific Computing, University of Warwick 2 , Gibbet Hill Road, Coventry CV4 7AL, United Kingdom","institution_ids":["https://openalex.org/I39555362"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5056513432","display_name":"Angelos Michaelides","orcid":"https://orcid.org/0000-0002-9169-169X","observed_orcids":["https://orcid.org/0000-0002-9169-169X"]},"institutions":[{"id":"https://openalex.org/I2801237587","display_name":"London Centre for Nanotechnology","ror":"https://ror.org/04ptp8872","country_code":"GB","type":"facility","lineage":["https://openalex.org/I2801237587"]},{"id":"https://openalex.org/I330495657","display_name":"Thomas Young Centre","ror":"https://ror.org/03hdrgy42","country_code":"GB","type":"other","lineage":["https://openalex.org/I330495657"]},{"id":"https://openalex.org/I45129253","display_name":"University College London","ror":"https://ror.org/02jx3x895","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I45129253"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Angelos Michaelides","raw_affiliation_strings":["Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London 1 , Gower Street, London WC1E 6BT, United Kingdom"],"raw_orcid":"https://orcid.org/0000-0002-9169-169X","affiliations":[{"raw_affiliation_string":"Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London 1 , Gower Street, London WC1E 6BT, United Kingdom","institution_ids":["https://openalex.org/I2801237587","https://openalex.org/I330495657","https://openalex.org/I45129253"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":1.5864,"has_fulltext":false,"cited_by_count":29,"citation_normalized_percentile":{"value":0.8050353,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":92,"max":98},"biblio":{"volume":"149","issue":"7","first_page":"072327","last_page":"072327"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12202","display_name":"nanoparticles nucleation surface interactions","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12202","display_name":"nanoparticles nucleation surface interactions","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"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":0.0,"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/T10347","display_name":"Atmospheric aerosols and clouds","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2306","display_name":"Global and Planetary Change"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/heterogeneous-ice-nucleation","display_name":"heterogeneous ice nucleation","score":0.9929999709129333},{"id":"https://openalex.org/keywords/crystal-surfaces","display_name":"crystal surfaces","score":0.8090000152587891},{"id":"https://openalex.org/keywords/cholesterol-crystals","display_name":"cholesterol crystals","score":0.8629999756813049},{"id":"https://openalex.org/keywords/tip4p-ice-water-model","display_name":"TIP4P/Ice water model","score":0.9789999723434448},{"id":"https://openalex.org/keywords/metadynamics","display_name":"metadynamics","score":0.6230000257492065},{"id":"https://openalex.org/keywords/forward-flux-sampling","display_name":"forward flux sampling","score":0.9850000143051147}],"concepts":[{"id":"https://openalex.org/C61048295","wikidata":"https://www.wikidata.org/wiki/Q909022","display_name":"Nucleation","level":2,"score":0.762499988079071},{"id":"https://openalex.org/C36248471","wikidata":"https://www.wikidata.org/wiki/Q7445669","display_name":"Seeding","level":2,"score":0.6938999891281128},{"id":"https://openalex.org/C122409099","wikidata":"https://www.wikidata.org/wiki/Q3136993","display_name":"Ice nucleus","level":3,"score":0.6729999780654907},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6632999777793884},{"id":"https://openalex.org/C62752575","wikidata":"https://www.wikidata.org/wiki/Q6822487","display_name":"Metadynamics","level":3,"score":0.5541999936103821},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5378000140190125},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5360999703407288},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.3970000147819519},{"id":"https://openalex.org/C66882249","wikidata":"https://www.wikidata.org/wiki/Q169336","display_name":"Homogeneous","level":2,"score":0.3659000098705292},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.35530000925064087},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3294999897480011},{"id":"https://openalex.org/C11135259","wikidata":"https://www.wikidata.org/wiki/Q2477027","display_name":"Length scale","level":2,"score":0.3292999863624573},{"id":"https://openalex.org/C140779682","wikidata":"https://www.wikidata.org/wiki/Q210868","display_name":"Sampling (signal processing)","level":3,"score":0.32899999618530273},{"id":"https://openalex.org/C68709404","wikidata":"https://www.wikidata.org/wiki/Q1134475","display_name":"Flux (metallurgy)","level":2,"score":0.32499998807907104},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3100999891757965},{"id":"https://openalex.org/C126485055","wikidata":"https://www.wikidata.org/wiki/Q474160","display_name":"Amorphous ice","level":3,"score":0.29760000109672546},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.2897999882698059},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.28780001401901245},{"id":"https://openalex.org/C203036418","wikidata":"https://www.wikidata.org/wiki/Q284256","display_name":"Crystallization","level":2,"score":0.2874999940395355},{"id":"https://openalex.org/C125388846","wikidata":"https://www.wikidata.org/wiki/Q1325808","display_name":"Ice crystals","level":2,"score":0.272599995136261},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.26739999651908875}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1063/1.5029336","doi":"https://doi.org/10.1063/1.5029336","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.5029336","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":"pmid:30134662","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30134662","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:wrap.warwick.ac.uk:103779","doi":null,"is_oa":false,"landing_page_url":"http://wrap.warwick.ac.uk/103779/1/WRAP-heterogeneous-molecular-dynamics-ice-nucleating-crystalline-Sosso-2018.pdf","pdf_url":"http://wrap.warwick.ac.uk/103779/1/WRAP-heterogeneous-molecular-dynamics-ice-nucleating-crystalline-Sosso-2018.pdf","source":{"id":"https://openalex.org/S4306400665","display_name":"Warwick Research Archive Portal (University of Warwick)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I39555362","host_organization_name":"University of Warwick","host_organization_lineage":["https://openalex.org/I39555362"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"","raw_type":"Journal Article"},{"id":"pmh:oai:arXiv.org:1806.06131","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1806.06131","pdf_url":"https://arxiv.org/pdf/1806.06131","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.1806.06131","doi":"https://doi.org/10.48550/arxiv.1806.06131","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.1806.06131","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":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:1806.06131","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1806.06131","pdf_url":"https://arxiv.org/pdf/1806.06131","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"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1670985171","display_name":"MATERIALS CHEMISTRY HIGH END COMPUTING CONSORTIUM","funder_award_id":"EP/L000202/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G1723170159","display_name":null,"funder_award_id":"616121","funder_id":"https://openalex.org/F4320338335","funder_display_name":"H2020 European Research Council"}],"funders":[{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"},{"id":"https://openalex.org/F4320338335","display_name":"H2020 European Research Council","ror":"https://ror.org/0472cxd90"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":74,"referenced_works":["https://openalex.org/W256255925","https://openalex.org/W1798839587","https://openalex.org/W1883963059","https://openalex.org/W1965754257","https://openalex.org/W1966078827","https://openalex.org/W1972222459","https://openalex.org/W1976295656","https://openalex.org/W1977426761","https://openalex.org/W1982839776","https://openalex.org/W1985530091","https://openalex.org/W1987514983","https://openalex.org/W1993177346","https://openalex.org/W1993436181","https://openalex.org/W2002384549","https://openalex.org/W2004832076","https://openalex.org/W2008380224","https://openalex.org/W2017722130","https://openalex.org/W2019465613","https://openalex.org/W2019556122","https://openalex.org/W2020109314","https://openalex.org/W2029186981","https://openalex.org/W2032701007","https://openalex.org/W2033858596","https://openalex.org/W2035687084","https://openalex.org/W2036313288","https://openalex.org/W2039863220","https://openalex.org/W2051669046","https://openalex.org/W2052038479","https://openalex.org/W2057477511","https://openalex.org/W2057806291","https://openalex.org/W2059013803","https://openalex.org/W2060812756","https://openalex.org/W2066827976","https://openalex.org/W2074117796","https://openalex.org/W2086634221","https://openalex.org/W2089614931","https://openalex.org/W2099490136","https://openalex.org/W2103945336","https://openalex.org/W2105808663","https://openalex.org/W2108149882","https://openalex.org/W2108675475","https://openalex.org/W2116617856","https://openalex.org/W2120629404","https://openalex.org/W2125138077","https://openalex.org/W2128572087","https://openalex.org/W2137352412","https://openalex.org/W2149655632","https://openalex.org/W2151373157","https://openalex.org/W2160079321","https://openalex.org/W2161558954","https://openalex.org/W2169390877","https://openalex.org/W2171268876","https://openalex.org/W2234373411","https://openalex.org/W2295294437","https://openalex.org/W2296264145","https://openalex.org/W2302465550","https://openalex.org/W2318605204","https://openalex.org/W2327383586","https://openalex.org/W2330260612","https://openalex.org/W2399366718","https://openalex.org/W2402844983","https://openalex.org/W2403412395","https://openalex.org/W2410822995","https://openalex.org/W2413227894","https://openalex.org/W2430274953","https://openalex.org/W2462636458","https://openalex.org/W2517493492","https://openalex.org/W2519522878","https://openalex.org/W2528886579","https://openalex.org/W2560782406","https://openalex.org/W2616118797","https://openalex.org/W2755116540","https://openalex.org/W2767786323","https://openalex.org/W2778857399"],"related_works":["https://openalex.org/W4367673213","https://openalex.org/W6885992060","https://openalex.org/W7204677635","https://openalex.org/W4220817392","https://openalex.org/W4410212603","https://openalex.org/W4253204133","https://openalex.org/W2413308184","https://openalex.org/W2552610718","https://openalex.org/W6925275223","https://openalex.org/W4415243164"],"abstract_inverted_index":{"Ice":[0],"nucleation":[1,171,183,241],"plays":[2],"a":[3,7,84,145,152],"significant":[4],"role":[5],"in":[6,103,215],"large":[8],"number":[9],"of":[10,23,68,100,106,118,128,168,184,227,243,246],"natural":[11],"and":[12,29,125,134,196,221],"technological":[13],"processes,":[14],"but":[15],"it":[16],"is":[17,64,83,136],"challenging":[18],"to":[19,43,56,60,65,95,113,131,157,236],"investigate":[20],"experimentally":[21],"because":[22],"the":[24,36,46,97,104,122,126,159,177,182,192,201,210,231,239],"small":[25],"time":[26,49],"scales":[27,32],"(ns)":[28],"short":[30],"length":[31],"(nm)":[33],"involved.":[34],"On":[35],"other":[37],"hand,":[38],"conventional":[39],"molecular":[40,81,165],"simulations":[41,167],"struggle":[42],"cope":[44],"with":[45,218],"relatively":[47],"long":[48],"scale":[50],"required":[51],"for":[52],"critical":[53],"ice":[54,108,123,170,185,240],"nuclei":[55],"form.":[57],"One":[58],"way":[59],"tackle":[61,158],"this":[62,135,141],"issue":[63],"take":[66],"advantage":[67],"free":[69],"energy":[70],"or":[71],"path":[72],"sampling":[73,224],"techniques.":[74],"Unfortunately,":[75],"these":[76],"are":[77],"computationally":[78],"costly.":[79],"Seeded":[80],"dynamics":[82,166],"much":[85],"less":[86],"demanding":[87],"alternative":[88],"that":[89,209],"has":[90,130],"been":[91],"successfully":[92],"applied":[93],"already":[94],"study":[96],"homogeneous":[98],"freezing":[99],"water.":[101],"However,":[102],"case":[105],"heterogeneous":[107,169],"nucleation,":[109],"nature\u2019s":[110],"favourite":[111],"route":[112],"form":[114],"ice,":[115],"an":[116],"array":[117],"suitable":[119],"interfaces":[120],"between":[121],"seeds":[124],"substrate":[127],"interest":[129],"be":[132],"built,":[133],"no":[137],"trivial":[138],"task.":[139],"In":[140],"paper,":[142],"we":[143],"present":[144],"Heterogeneous":[146],"SEEDing":[147],"(HSEED)":[148],"approach":[149],"which":[150],"harnesses":[151],"random":[153],"structure":[154],"search":[155],"framework":[156,179],"ice-substrate":[160],"challenge,":[161],"thus":[162],"enabling":[163],"seeded":[164],"on":[172,186],"crystalline":[173,189,247],"surfaces.":[174],"We":[175,207],"validate":[176],"HSEED":[178,211,232],"by":[180],"investigating":[181],"(i)":[187],"model":[188],"surfaces,":[190],"using":[191],"coarse-grained":[193],"mW":[194],"model,":[195],"(ii)":[197],"cholesterol":[198],"crystals,":[199],"employing":[200],"fully":[202],"atomistic":[203],"TIP4P/ice":[204],"water":[205],"model.":[206],"show":[208],"technique":[212],"yields":[213],"results":[214],"excellent":[216],"agreement":[217],"both":[219],"metadynamics":[220],"forward":[222],"flux":[223],"simulations.":[225],"Because":[226],"its":[228],"computational":[229,250],"efficiency,":[230],"method":[233],"allows":[234],"one":[235],"rapidly":[237],"assess":[238],"ability":[242],"whole":[244],"libraries":[245],"substrates\u2014a":[248],"long-awaited":[249],"development":[251],"in,":[252],"e.g.,":[253],"atmospheric":[254],"science.":[255]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":2}],"updated_date":"2026-11-03T10:50:19.383937","created_date":"2018-06-21T00:00:00"}