{"id":"https://openalex.org/W4392787419","doi":"https://doi.org/10.21105/joss.06150","title":"TDEP: Temperature Dependent EffectivePotentials","display_name":"TDEP: Temperature Dependent EffectivePotentials","publication_year":2024,"publication_date":"2024-02-01","ids":{"openalex":"https://openalex.org/W4392787419","doi":"https://doi.org/10.21105/joss.06150"},"language":"en","primary_location":{"id":"doi:10.21105/joss.06150","is_oa":true,"landing_page_url":"https://doi.org/10.21105/joss.06150","pdf_url":"https://joss.theoj.org/papers/10.21105/joss.06150.pdf","source":{"id":"https://openalex.org/S4210214273","display_name":"The Journal of Open Source Software","issn_l":"2475-9066","issn":["2475-9066"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315853","host_organization_name":"Open Journals","host_organization_lineage":["https://openalex.org/P4310315853"],"host_organization_lineage_names":["Open Journals"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Open Source Software","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://joss.theoj.org/papers/10.21105/joss.06150.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5018200781","display_name":"Florian Knoop","orcid":"https://orcid.org/0000-0002-7132-039X"},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Florian Knoop","raw_affiliation_strings":["Link\u00f6ping University (Sweden)"],"raw_orcid":"https://orcid.org/0000-0002-7132-039X","affiliations":[{"raw_affiliation_string":"Link\u00f6ping University (Sweden)","institution_ids":["https://openalex.org/I102134673"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035040014","display_name":"Nina Shulumba","orcid":"https://orcid.org/0000-0002-2374-7487"},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Nina Shulumba","raw_affiliation_strings":["Link\u00f6ping University (Sweden)"],"raw_orcid":"https://orcid.org/0000-0002-2374-7487","affiliations":[{"raw_affiliation_string":"Link\u00f6ping University (Sweden)","institution_ids":["https://openalex.org/I102134673"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026769506","display_name":"Alo\u00efs Castellano","orcid":"https://orcid.org/0000-0002-8783-490X"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Alo\u00efs Castellano","raw_affiliation_strings":["Universit\u00e9 de Li\u00e8ge (Belgium)"],"raw_orcid":"https://orcid.org/0000-0002-8783-490X","affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Li\u00e8ge (Belgium)","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103050442","display_name":"J. P. Alvarinhas Batista","orcid":"https://orcid.org/0000-0002-3314-249X"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"J. P. Alvarinhas Batista","raw_affiliation_strings":["Universit\u00e9 de Li\u00e8ge (Belgium)"],"raw_orcid":"https://orcid.org/0000-0002-3314-249X","affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Li\u00e8ge (Belgium)","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012035548","display_name":"Roberta Farris","orcid":"https://orcid.org/0000-0001-6710-0100"},"institutions":[{"id":"https://openalex.org/I4210093216","display_name":"Institut Catal\u00e0 de Nanoci\u00e8ncia i Nanotecnologia","ror":"https://ror.org/00k1qja49","country_code":"ES","type":"facility","lineage":["https://openalex.org/I123044942","https://openalex.org/I134820265","https://openalex.org/I4210093216","https://openalex.org/I4210132884","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Roberta Farris","raw_affiliation_strings":["Catalan Institute of Nanoscience and Nanotechnology - ICN2 (BIST and CSIC), Bellaterra (Spain)"],"raw_orcid":"https://orcid.org/0000-0001-6710-0100","affiliations":[{"raw_affiliation_string":"Catalan Institute of Nanoscience and Nanotechnology - ICN2 (BIST and CSIC), Bellaterra (Spain)","institution_ids":["https://openalex.org/I4210093216"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082063247","display_name":"Matthieu J. Verstraete","orcid":"https://orcid.org/0000-0001-6921-5163"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]},{"id":"https://openalex.org/I193662353","display_name":"Utrecht University","ror":"https://ror.org/04pp8hn57","country_code":"NL","type":"education","lineage":["https://openalex.org/I193662353"]}],"countries":["BE","NL"],"is_corresponding":false,"raw_author_name":"Matthieu J. Verstraete","raw_affiliation_strings":["University of Utrecht (The Netherlands)","Universit\u00e9 de Li\u00e8ge (Belgium)"],"raw_orcid":"https://orcid.org/0000-0001-6921-5163","affiliations":[{"raw_affiliation_string":"University of Utrecht (The Netherlands)","institution_ids":["https://openalex.org/I193662353"]},{"raw_affiliation_string":"Universit\u00e9 de Li\u00e8ge (Belgium)","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019105817","display_name":"Matthew Heine","orcid":"https://orcid.org/0000-0002-4882-6712"},"institutions":[{"id":"https://openalex.org/I103531236","display_name":"Boston College","ror":"https://ror.org/02n2fzt79","country_code":"US","type":"education","lineage":["https://openalex.org/I103531236"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Matthew Heine","raw_affiliation_strings":["Boston College, Chestnut Hill, MA (United States)"],"raw_orcid":"https://orcid.org/0000-0002-4882-6712","affiliations":[{"raw_affiliation_string":"Boston College, Chestnut Hill, MA (United States)","institution_ids":["https://openalex.org/I103531236"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055474009","display_name":"David Broido","orcid":"https://orcid.org/0000-0003-0182-4450"},"institutions":[{"id":"https://openalex.org/I103531236","display_name":"Boston College","ror":"https://ror.org/02n2fzt79","country_code":"US","type":"education","lineage":["https://openalex.org/I103531236"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"David Broido","raw_affiliation_strings":["Boston College, Chestnut Hill, MA (United States)"],"raw_orcid":"https://orcid.org/0000-0003-0182-4450","affiliations":[{"raw_affiliation_string":"Boston College, Chestnut Hill, MA (United States)","institution_ids":["https://openalex.org/I103531236"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007758632","display_name":"Dennis Kim","orcid":"https://orcid.org/0000-0002-5707-2609"},"institutions":[{"id":"https://openalex.org/I161318765","display_name":"University of California, Los Angeles","ror":"https://ror.org/046rm7j60","country_code":"US","type":"education","lineage":["https://openalex.org/I161318765"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dennis S. Kim","raw_affiliation_strings":["University of California, Los Angeles (UCLA), CA (United States)"],"raw_orcid":"https://orcid.org/0000-0002-5707-2609","affiliations":[{"raw_affiliation_string":"University of California, Los Angeles (UCLA), CA (United States)","institution_ids":["https://openalex.org/I161318765"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006514949","display_name":"Johan Klarbring","orcid":"https://orcid.org/0000-0002-6223-5812"},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]},{"id":"https://openalex.org/I47508984","display_name":"Imperial College London","ror":"https://ror.org/041kmwe10","country_code":"GB","type":"education","lineage":["https://openalex.org/I47508984"]}],"countries":["GB","SE"],"is_corresponding":false,"raw_author_name":"Johan Klarbring","raw_affiliation_strings":["Link\u00f6ping University (Sweden)","Imperial College, London (United Kingdom)"],"raw_orcid":"https://orcid.org/0000-0002-6223-5812","affiliations":[{"raw_affiliation_string":"Link\u00f6ping University (Sweden)","institution_ids":["https://openalex.org/I102134673"]},{"raw_affiliation_string":"Imperial College, London (United Kingdom)","institution_ids":["https://openalex.org/I47508984"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090669667","display_name":"Igor A. Abrikosov","orcid":"https://orcid.org/0000-0001-7551-4717"},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Igor A. Abrikosov","raw_affiliation_strings":["Link\u00f6ping University (Sweden)"],"raw_orcid":"https://orcid.org/0000-0001-7551-4717","affiliations":[{"raw_affiliation_string":"Link\u00f6ping University (Sweden)","institution_ids":["https://openalex.org/I102134673"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019905760","display_name":"S. I. Simak","orcid":"https://orcid.org/0000-0002-1320-389X"},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]},{"id":"https://openalex.org/I123387679","display_name":"Uppsala University","ror":"https://ror.org/048a87296","country_code":"SE","type":"education","lineage":["https://openalex.org/I123387679"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Sergei I. Simak","raw_affiliation_strings":["Link\u00f6ping University (Sweden)","Uppsala University (Sweden)"],"raw_orcid":"https://orcid.org/0000-0002-1320-389X","affiliations":[{"raw_affiliation_string":"Link\u00f6ping University (Sweden)","institution_ids":["https://openalex.org/I102134673"]},{"raw_affiliation_string":"Uppsala University (Sweden)","institution_ids":["https://openalex.org/I123387679"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5072136329","display_name":"Olle Hellman","orcid":"https://orcid.org/0000-0002-3453-2975"},"institutions":[{"id":"https://openalex.org/I53964585","display_name":"Weizmann Institute of Science","ror":"https://ror.org/0316ej306","country_code":"IL","type":"education","lineage":["https://openalex.org/I53964585"]}],"countries":["IL"],"is_corresponding":false,"raw_author_name":"Olle Hellman","raw_affiliation_strings":["Weizmann Institute of Science, Rehovot (Israel)"],"raw_orcid":"https://orcid.org/0000-0002-3453-2975","affiliations":[{"raw_affiliation_string":"Weizmann Institute of Science, Rehovot (Israel)","institution_ids":["https://openalex.org/I53964585"]}]}],"institutions":[],"countries_distinct_count":7,"institutions_distinct_count":9,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":6.5646,"has_fulltext":true,"cited_by_count":66,"citation_normalized_percentile":{"value":0.98800326,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"9","issue":"94","first_page":"6150","last_page":"6150"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11277","display_name":"Thermal properties of materials","score":0.9983999729156494,"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/T11277","display_name":"Thermal properties of materials","score":0.9983999729156494,"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":0.9966999888420105,"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/T11965","display_name":"Quantum, superfluid, helium dynamics","score":0.9940999746322632,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.3581690788269043}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3581690788269043}],"mesh":[],"locations_count":7,"locations":[{"id":"doi:10.21105/joss.06150","is_oa":true,"landing_page_url":"https://doi.org/10.21105/joss.06150","pdf_url":"https://joss.theoj.org/papers/10.21105/joss.06150.pdf","source":{"id":"https://openalex.org/S4210214273","display_name":"The Journal of Open Source Software","issn_l":"2475-9066","issn":["2475-9066"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315853","host_organization_name":"Open Journals","host_organization_lineage":["https://openalex.org/P4310315853"],"host_organization_lineage_names":["Open Journals"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Open Source Software","raw_type":"journal-article"},{"id":"pmh:oai:digital.csic.es:10261/391729","is_oa":false,"landing_page_url":"http://hdl.handle.net/10261/391729","pdf_url":null,"source":{"id":"https://openalex.org/S4306400616","display_name":"DIGITAL.CSIC (Spanish National Research Council (CSIC))","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I134820265","host_organization_name":"Consejo Superior de Investigaciones Cient\u00edficas","host_organization_lineage":["https://openalex.org/I134820265"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"art\u00edculo de software"},{"id":"pmh:oai:ddd.uab.cat:299710","is_oa":true,"landing_page_url":"https://ddd.uab.cat/record/299710","pdf_url":"https://ddd.uab.cat/pub/artpub/2024/299710/JouOpeSouSof_a2024v9n94p6150iENG.pdf","source":{"id":"https://openalex.org/S4306400381","display_name":"Dip\u00f2sit Digital de Documents de la UAB (Universitat Aut\u00f2noma de Barcelona)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I123044942","host_organization_name":"Universitat Aut\u00f2noma de Barcelona","host_organization_lineage":["https://openalex.org/I123044942"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"},{"id":"pmh:oai:orbi.ulg.ac.be:2268/313557","is_oa":true,"landing_page_url":"https://orbi.uliege.be/handle/2268/313557","pdf_url":"https://orbi.uliege.be/bitstream/2268/313557/1/10.21105.joss.06150.pdf","source":{"id":"https://openalex.org/S4306400651","display_name":"Open Repository and Bibliography (University of Li\u00e8ge)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I157674565","host_organization_name":"University of Li\u00e8ge","host_organization_lineage":["https://openalex.org/I157674565"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Open Source Software, 9 (94), 1-7 (2024-02-01)","raw_type":"http://purl.org/coar/resource_type/c_6501"},{"id":"pmh:oai:osti.gov:2341510","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/2341510","pdf_url":"https://www.osti.gov/servlets/purl/2341510","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null},{"id":"pmh:oai:DiVA.org:liu-200749","is_oa":true,"landing_page_url":"http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-200749","pdf_url":null,"source":{"id":"https://openalex.org/S4306401559","display_name":"KTH Publication Database DiVA (KTH Royal Institute of Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"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":"info:eu-repo/semantics/article"},{"id":"pmh:oai:dspace.library.uu.nl:1874/473412","is_oa":true,"landing_page_url":"https://dspace.library.uu.nl/handle/1874/473412","pdf_url":null,"source":{"id":"https://openalex.org/S4306401649","display_name":"Utrecht University Repository (Utrecht University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I193662353","host_organization_name":"Utrecht University","host_organization_lineage":["https://openalex.org/I193662353"],"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":null,"raw_type":"Article"}],"best_oa_location":{"id":"doi:10.21105/joss.06150","is_oa":true,"landing_page_url":"https://doi.org/10.21105/joss.06150","pdf_url":"https://joss.theoj.org/papers/10.21105/joss.06150.pdf","source":{"id":"https://openalex.org/S4210214273","display_name":"The Journal of Open Source Software","issn_l":"2475-9066","issn":["2475-9066"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315853","host_organization_name":"Open Journals","host_organization_lineage":["https://openalex.org/P4310315853"],"host_organization_lineage_names":["Open Journals"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Open Source Software","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.75,"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7"}],"awards":[{"id":"https://openalex.org/G1116334189","display_name":null,"funder_award_id":"DE-SC0021071","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G1884991426","display_name":null,"funder_award_id":"2021-00486","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G2262748287","display_name":null,"funder_award_id":"501100011033","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G2509613613","display_name":null,"funder_award_id":"KAW-2018.0194","funder_id":"https://openalex.org/F4320322225","funder_display_name":"Link\u00f6pings Universitet"},{"id":"https://openalex.org/G2863773509","display_name":null,"funder_award_id":"MCIN/AEI/ 10.13039/501100011033","funder_id":"https://openalex.org/F4320335322","funder_display_name":"European Regional Development Fund"},{"id":"https://openalex.org/G2977819757","display_name":null,"funder_award_id":"2020-04630","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G300979063","display_name":null,"funder_award_id":"10.13039/501100011033","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G3412273058","display_name":null,"funder_award_id":"AEI/ 10.13039/501100011033","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G3438891359","display_name":null,"funder_award_id":"KAW-2018.0194","funder_id":"https://openalex.org/F4320317161","funder_display_name":"Swedish e-Science Research Centre"},{"id":"https://openalex.org/G3480869486","display_name":null,"funder_award_id":"13039","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G410571670","display_name":null,"funder_award_id":"10.13039/501100011033","funder_id":"https://openalex.org/F4320335322","funder_display_name":"European Regional Development Fund"},{"id":"https://openalex.org/G4124606981","display_name":null,"funder_award_id":"2009 00971","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G451917667","display_name":null,"funder_award_id":"13039/501100011033","funder_id":"https://openalex.org/F4320335322","funder_display_name":"European Regional Development Fund"},{"id":"https://openalex.org/G4858073273","display_name":null,"funder_award_id":"40007563","funder_id":"https://openalex.org/F4320321730","funder_display_name":"Fonds Wetenschappelijk Onderzoek"},{"id":"https://openalex.org/G4906108641","display_name":null,"funder_award_id":"2023-05247","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G5080475149","display_name":null,"funder_award_id":"10.13039","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G5434076729","display_name":null,"funder_award_id":"DE-SC0021071","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G5967599077","display_name":null,"funder_award_id":"501100011033","funder_id":"https://openalex.org/F4320335322","funder_display_name":"European Regional Development Fund"},{"id":"https://openalex.org/G6750660533","display_name":null,"funder_award_id":"PID2022-139776NB-C62","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G7266728691","display_name":null,"funder_award_id":"13039/501100011033","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G7864457617","display_name":null,"funder_award_id":"KAW-2018.0194","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G8410187158","display_name":null,"funder_award_id":"40007563","funder_id":"https://openalex.org/F4320321390","funder_display_name":"Fonds De La Recherche Scientifique - FNRS"},{"id":"https://openalex.org/G8909017353","display_name":null,"funder_award_id":"MCIN/AEI/ 10.13039/501100011033","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G8965046316","display_name":null,"funder_award_id":"2009 00971","funder_id":"https://openalex.org/F4320322225","funder_display_name":"Link\u00f6pings Universitet"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320308357","display_name":"Boston College","ror":"https://ror.org/02n2fzt79"},{"id":"https://openalex.org/F4320317161","display_name":"Swedish e-Science Research Centre","ror":"https://ror.org/01e59yk92"},{"id":"https://openalex.org/F4320321390","display_name":"Fonds De La Recherche Scientifique - FNRS","ror":"https://ror.org/03q83t159"},{"id":"https://openalex.org/F4320321730","display_name":"Fonds Wetenschappelijk Onderzoek","ror":"https://ror.org/03qtxy027"},{"id":"https://openalex.org/F4320322225","display_name":"Link\u00f6pings Universitet","ror":"https://ror.org/05ynxx418"},{"id":"https://openalex.org/F4320322581","display_name":"Vetenskapsr\u00e5det","ror":"https://ror.org/03zttf063"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320335322","display_name":"European Regional Development Fund","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320335598","display_name":"Agencia Estatal de Investigaci\u00f3n","ror":null},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4392787419.pdf"},"referenced_works_count":41,"referenced_works":["https://openalex.org/W1986081941","https://openalex.org/W2007060407","https://openalex.org/W2010257717","https://openalex.org/W2030976617","https://openalex.org/W2051369625","https://openalex.org/W2051923595","https://openalex.org/W2055530511","https://openalex.org/W2059314255","https://openalex.org/W2060009790","https://openalex.org/W2061653786","https://openalex.org/W2065964447","https://openalex.org/W2083372231","https://openalex.org/W2111585073","https://openalex.org/W2133297761","https://openalex.org/W2162591946","https://openalex.org/W2192189580","https://openalex.org/W2227355244","https://openalex.org/W2230728100","https://openalex.org/W2299765168","https://openalex.org/W2488452541","https://openalex.org/W2525590919","https://openalex.org/W2601081289","https://openalex.org/W2625344673","https://openalex.org/W2765310820","https://openalex.org/W2886176300","https://openalex.org/W2962975009","https://openalex.org/W2996207830","https://openalex.org/W3014302451","https://openalex.org/W3036876875","https://openalex.org/W3134201288","https://openalex.org/W3157357455","https://openalex.org/W3165532153","https://openalex.org/W3189015013","https://openalex.org/W4205663798","https://openalex.org/W4213250441","https://openalex.org/W4236089793","https://openalex.org/W4309116835","https://openalex.org/W4309335178","https://openalex.org/W4388251752","https://openalex.org/W4389793838","https://openalex.org/W6664990358"],"related_works":["https://openalex.org/W4246450666","https://openalex.org/W4388998267","https://openalex.org/W2898370298","https://openalex.org/W2137437058","https://openalex.org/W4396520874","https://openalex.org/W4390401159","https://openalex.org/W2744391499","https://openalex.org/W4230250635","https://openalex.org/W3041790586","https://openalex.org/W2018879842"],"abstract_inverted_index":{"The":[0,69],"Temperature":[1],"Dependent":[2],"Effective":[3],"Potential":[4],"(TDEP)":[5],"method":[6],"is":[7,57,75],"a":[8,17],"versatile":[9],"and":[10,35,38,48,53,73,88,95,102],"efficient":[11],"approach":[12],"to":[13,29,46,99],"include":[14],"temperature":[15],"in":[16,33,59,92],"binitio":[18],"materials":[19],"simulations":[20],"based":[21],"on":[22,81],"phonon":[23,90],"theory.":[24],"TDEP":[25],"can":[26],"be":[27],"used":[28],"describe":[30],"thermodynamic":[31],"properties":[32,41],"classical":[34],"quantum":[36],"ensembles,":[37],"several":[39],"response":[40],"ranging":[42],"from":[43],"thermal":[44],"transport":[45],"Neutron":[47],"Raman":[49],"spectroscopy.":[50],"A":[51],"stable":[52],"fast":[54],"reference":[55],"implementation":[56],"given":[58],"the":[60,64,83,107],"software":[61],"package":[62],"of":[63,106],"same":[65],"name":[66],"described":[67],"here.":[68],"underlying":[70],"theoretical":[71],"framework":[72],"foundation":[74],"briefly":[76],"sketched":[77],"with":[78],"an":[79],"emphasis":[80],"discerning":[82],"conceptual":[84],"difference":[85],"between":[86],"bare":[87],"effective":[89],"theory,":[91],"both":[93],"self-consistent":[94],"non-self-consistent":[96],"formulations.":[97],"References":[98],"numerous":[100],"applications":[101],"more":[103],"in-depth":[104],"discussions":[105],"theory":[108],"are":[109],"given.":[110]},"counts_by_year":[{"year":2026,"cited_by_count":17},{"year":2025,"cited_by_count":34},{"year":2024,"cited_by_count":15}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
