{"id":"https://openalex.org/W3119113486","doi":"https://doi.org/10.1038/s43588-020-00016-5","title":"Promises and perils of computational materials databases","display_name":"Promises and perils of computational materials databases","publication_year":2021,"publication_date":"2021-01-14","ids":{"openalex":"https://openalex.org/W3119113486","doi":"https://doi.org/10.1038/s43588-020-00016-5","mag":"3119113486","pmid":"https://pubmed.ncbi.nlm.nih.gov/38217164"},"language":"en","primary_location":{"id":"doi:10.1038/s43588-020-00016-5","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s43588-020-00016-5","pdf_url":"https://www.nature.com/articles/s43588-020-00016-5.pdf","source":{"id":"https://openalex.org/S4210228084","display_name":"Nature Computational Science","issn_l":"2662-8457","issn":["2662-8457"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Computational Science","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://www.nature.com/articles/s43588-020-00016-5.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5077202982","display_name":"Matthew K. Horton","orcid":"https://orcid.org/0000-0001-7777-8871"},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I95457486","display_name":"University of California, Berkeley","ror":"https://ror.org/01an7q238","country_code":"US","type":"education","lineage":["https://openalex.org/I95457486"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"M. K. Horton","raw_affiliation_strings":["Department of Materials Science and Engineering, University of California, Berkeley, CA, USA","Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA"],"raw_orcid":"https://orcid.org/0000-0001-7777-8871","affiliations":[{"raw_affiliation_string":"Department of Materials Science and Engineering, University of California, Berkeley, CA, USA","institution_ids":["https://openalex.org/I95457486"]},{"raw_affiliation_string":"Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001088684","display_name":"Shyam Dwaraknath","orcid":"https://orcid.org/0000-0003-0289-2607"},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"S. Dwaraknath","raw_affiliation_strings":["Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037535334","display_name":"Kristin A. Persson","orcid":"https://orcid.org/0000-0003-2495-5509"},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I95457486","display_name":"University of California, Berkeley","ror":"https://ror.org/01an7q238","country_code":"US","type":"education","lineage":["https://openalex.org/I95457486"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"K. A. Persson","raw_affiliation_strings":["Department of Materials Science and Engineering, University of California, Berkeley, CA, USA. kapersson@lbl.gov","Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA, USA. kapersson@lbl.gov","Department of Materials Science and Engineering, University of California, Berkeley, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Materials Science and Engineering, University of California, Berkeley, CA, USA. kapersson@lbl.gov","institution_ids":["https://openalex.org/I95457486"]},{"raw_affiliation_string":"Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA, USA. kapersson@lbl.gov","institution_ids":["https://openalex.org/I148283060"]},{"raw_affiliation_string":"Department of Materials Science and Engineering, University of California, Berkeley, CA, USA","institution_ids":["https://openalex.org/I95457486"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5077202982"],"corresponding_institution_ids":["https://openalex.org/I148283060","https://openalex.org/I95457486"],"apc_list":{"value":9750,"currency":"EUR","value_usd":11690},"apc_paid":null,"fwci":3.284,"has_fulltext":false,"cited_by_count":47,"citation_normalized_percentile":{"value":0.93045534,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"1","issue":"1","first_page":"3","last_page":"5"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":1.0,"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/T11948","display_name":"Machine Learning in Materials Science","score":1.0,"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/T12588","display_name":"Electronic and Structural Properties of Oxides","score":0.9980999827384949,"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/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.9926999807357788,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.5847160816192627},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4849146008491516},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.4516422748565674},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.40875354409217834}],"concepts":[{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.5847160816192627},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4849146008491516},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.4516422748565674},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.40875354409217834},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1038/s43588-020-00016-5","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s43588-020-00016-5","pdf_url":"https://www.nature.com/articles/s43588-020-00016-5.pdf","source":{"id":"https://openalex.org/S4210228084","display_name":"Nature Computational Science","issn_l":"2662-8457","issn":["2662-8457"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Computational Science","raw_type":"journal-article"},{"id":"pmid:38217164","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38217164","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature computational science","raw_type":null}],"best_oa_location":{"id":"doi:10.1038/s43588-020-00016-5","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s43588-020-00016-5","pdf_url":"https://www.nature.com/articles/s43588-020-00016-5.pdf","source":{"id":"https://openalex.org/S4210228084","display_name":"Nature Computational Science","issn_l":"2662-8457","issn":["2662-8457"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Computational Science","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.5199999809265137}],"awards":[{"id":"https://openalex.org/G1286251239","display_name":null,"funder_award_id":"DE-AC02","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G4255765125","display_name":null,"funder_award_id":"KC23MP","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G4595092973","display_name":null,"funder_award_id":"AC02-05-CH11231","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G498139845","display_name":null,"funder_award_id":"DE-AC02","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G5169111516","display_name":null,"funder_award_id":"KC23MP","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G6144589436","display_name":null,"funder_award_id":"-AC02-05-CH11231","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6558272803","display_name":null,"funder_award_id":"DE-AC02","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6907018242","display_name":null,"funder_award_id":"AC02-05-CH11231","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7568906821","display_name":null,"funder_award_id":"DE-AC02-05-CH11231","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7610788402","display_name":null,"funder_award_id":"DE-AC02-05-CH11231","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G940671574","display_name":null,"funder_award_id":"DE-AC02-05-CH11231","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G969889393","display_name":null,"funder_award_id":"DE-AC02-","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3119113486.pdf","grobid_xml":"https://content.openalex.org/works/W3119113486.grobid-xml"},"referenced_works_count":24,"referenced_works":["https://openalex.org/W1648338578","https://openalex.org/W1976492731","https://openalex.org/W2065382771","https://openalex.org/W2097365790","https://openalex.org/W2134329894","https://openalex.org/W2258843399","https://openalex.org/W2302501749","https://openalex.org/W2344484004","https://openalex.org/W2586209903","https://openalex.org/W2593252896","https://openalex.org/W2773787581","https://openalex.org/W2801403847","https://openalex.org/W2808135796","https://openalex.org/W2916332658","https://openalex.org/W2924281192","https://openalex.org/W2952587573","https://openalex.org/W2966683548","https://openalex.org/W3002779457","https://openalex.org/W3013990447","https://openalex.org/W3039596418","https://openalex.org/W3083787461","https://openalex.org/W3099917916","https://openalex.org/W3105321997","https://openalex.org/W6949960845"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2350741829","https://openalex.org/W2530322880","https://openalex.org/W1596801655","https://openalex.org/W2359140296"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":9},{"year":2022,"cited_by_count":13},{"year":2021,"cited_by_count":12}],"updated_date":"2026-05-12T08:28:47.272897","created_date":"2025-10-10T00:00:00"}
