{"id":"https://openalex.org/W4393472256","doi":"https://doi.org/10.5281/zenodo.5097002","title":"High-Throughput Screening of Tribological Properties of Monolayer Films using Molecular Dynamics and Machine Learning: Supplemental Repository","display_name":"High-Throughput Screening of Tribological Properties of Monolayer Films using Molecular Dynamics and Machine Learning: Supplemental Repository","publication_year":2021,"publication_date":"2021-10-06","ids":{"openalex":"https://openalex.org/W4393472256","doi":"https://doi.org/10.5281/zenodo.5097002"},"language":"en","primary_location":{"id":"pmh:oai:zenodo.org:5097003","doi":null,"is_oa":true,"landing_page_url":"https://zenodo.org/record/5097003","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"dataset"},"volume":null,"type":"dataset","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://zenodo.org/record/5097003","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5051579231","display_name":"Co D. Quach","orcid":"https://orcid.org/0000-0002-1255-4161","observed_orcids":["https://orcid.org/0000-0002-1255-4161"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Quach, Co D","raw_affiliation_strings":["Vanderbilt University"],"raw_orcid":"https://orcid.org/0000-0002-1255-4161","affiliations":[{"raw_affiliation_string":"Vanderbilt University","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023463902","display_name":"Justin Gilmer","orcid":"https://orcid.org/0000-0002-6915-5591","observed_orcids":["https://orcid.org/0000-0002-6915-5591"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gilmer, Justin B","raw_affiliation_strings":["Vanderbilt University"],"raw_orcid":"https://orcid.org/0000-0002-6915-5591","affiliations":[{"raw_affiliation_string":"Vanderbilt University","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030326616","display_name":"Daniel Pert","orcid":"https://orcid.org/0000-0002-3228-9510","observed_orcids":["https://orcid.org/0000-0002-3228-9510"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Pert, Daniel","raw_affiliation_strings":["Vanderbilt University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Vanderbilt University","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007903768","display_name":"Akanke Mason-Hogans","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mason-Hogans, Akanke","raw_affiliation_strings":["Vanderbilt University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Vanderbilt University","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028183845","display_name":"Christopher R. Iacovella","orcid":"https://orcid.org/0000-0003-0557-0427","observed_orcids":["https://orcid.org/0000-0003-0557-0427"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Iacovella, Christopher","raw_affiliation_strings":["Vanderbilt University"],"raw_orcid":"https://orcid.org/0000-0003-0557-0427","affiliations":[{"raw_affiliation_string":"Vanderbilt University","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072586806","display_name":"Clare McCabe","orcid":"https://orcid.org/0000-0002-8552-9135","observed_orcids":["https://orcid.org/0000-0002-8552-9135"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"McCabe, Clare","raw_affiliation_strings":["Vanderbilt University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Vanderbilt University","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5049584797","display_name":"Peter T. Cummings","orcid":"https://orcid.org/0000-0002-9766-2216","observed_orcids":["https://orcid.org/0000-0002-9766-2216"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Cummings, Peter T","raw_affiliation_strings":["Vanderbilt University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Vanderbilt University","institution_ids":["https://openalex.org/I200719446"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I200719446"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11557","display_name":"Lubricants and Their Additives","score":0.6723999977111816,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical 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/T11557","display_name":"Lubricants and Their Additives","score":0.6723999977111816,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical 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/T11948","display_name":"Machine Learning in Materials Science","score":0.13699999451637268,"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/T11138","display_name":"Tribology and Lubrication Engineering","score":0.09830000251531601,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/tribological-properties","display_name":"tribological properties","score":0.890999972820282},{"id":"https://openalex.org/keywords/monolayers","display_name":"monolayers","score":0.9940000176429749},{"id":"https://openalex.org/keywords/high-throughput-screening","display_name":"high-throughput screening","score":0.9430000185966492},{"id":"https://openalex.org/keywords/friction","display_name":"friction","score":0.7080000042915344},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.6620000004768372},{"id":"https://openalex.org/keywords/machine-learning","display_name":"machine learning","score":0.6819999814033508},{"id":"https://openalex.org/keywords/interlayer-friction","display_name":"interlayer friction","score":0.41600000858306885}],"concepts":[{"id":"https://openalex.org/C157764524","wikidata":"https://www.wikidata.org/wiki/Q1383412","display_name":"Throughput","level":3,"score":0.7924612760543823},{"id":"https://openalex.org/C7070889","wikidata":"https://www.wikidata.org/wiki/Q902488","display_name":"Monolayer","level":2,"score":0.6937335729598999},{"id":"https://openalex.org/C167310744","wikidata":"https://www.wikidata.org/wiki/Q193870","display_name":"Tribology","level":2,"score":0.5604993104934692},{"id":"https://openalex.org/C51323132","wikidata":"https://www.wikidata.org/wiki/Q626251","display_name":"High-throughput screening","level":2,"score":0.5516520142555237},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.5273854732513428},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5088368058204651},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5026199817657471},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.4646470248699188},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.39705246686935425},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.25261175632476807},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1525946855545044},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.14387845993041992},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.13028690218925476},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0841599702835083},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0},{"id":"https://openalex.org/C555944384","wikidata":"https://www.wikidata.org/wiki/Q249","display_name":"Wireless","level":2,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"pmh:oai:zenodo.org:5097003","doi":null,"is_oa":true,"landing_page_url":"https://zenodo.org/record/5097003","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"dataset"},{"id":"pmh:oai:zenodo.org:6307005","doi":null,"is_oa":true,"landing_page_url":"https://zenodo.org/record/6307005","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"dataset"},{"id":"doi:10.5281/zenodo.5097002","doi":"https://doi.org/10.5281/zenodo.5097002","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.5097002","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"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":"Dataset"},{"id":"doi:10.5281/zenodo.5097003","doi":"https://doi.org/10.5281/zenodo.5097003","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.5097003","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"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":"Dataset"},{"id":"doi:10.5281/zenodo.6307005","doi":"https://doi.org/10.5281/zenodo.6307005","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.6307005","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"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":"Dataset"}],"best_oa_location":{"id":"pmh:oai:zenodo.org:5097003","doi":null,"is_oa":true,"landing_page_url":"https://zenodo.org/record/5097003","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"dataset"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W6920954022","https://openalex.org/W3208972113","https://openalex.org/W3003571960","https://openalex.org/W6902216914","https://openalex.org/W3121394476","https://openalex.org/W131902030","https://openalex.org/W3216250861","https://openalex.org/W7207970261","https://openalex.org/W324275808","https://openalex.org/W2799365297"],"abstract_inverted_index":{"Supplemental":[0],"repository":[1],"for":[2],"the":[3],"\"High-Throughput":[4],"Screening":[5],"of":[6,9,23],"Tribological":[7],"Properties":[8],"Monolayer":[10],"Films":[11],"using":[12],"Molecular":[13,27],"Dynamics":[14,28],"and":[15,31],"Machine":[16,32],"Learning\"":[17],"article.":[18],"Contains":[19],"calculated":[20],"tribological":[21],"properties":[22],"dual-monolayer":[24],"systems":[25],"from":[26],"(MD)":[29],"simulation":[30],"Learning":[33],"(ML).":[34]},"counts_by_year":[],"updated_date":"2026-10-08T09:06:37.294493","created_date":"2024-04-03T00:00:00"}