{"id":"https://openalex.org/W4393811402","doi":"https://doi.org/10.5281/zenodo.10257363","title":"Data for \"Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra\"","display_name":"Data for \"Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra\"","publication_year":2023,"publication_date":"2023-12-04","ids":{"openalex":"https://openalex.org/W4393811402","doi":"https://doi.org/10.5281/zenodo.10257363"},"language":"en","primary_location":{"id":"pmh:doi:10.5281/zenodo.10257362","is_oa":true,"landing_page_url":null,"pdf_url":null,"source":{"id":"https://openalex.org/S4406922384","display_name":"Open MIND","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"type":"dataset","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":null,"any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101570418","display_name":"Nan Xu","orcid":"https://orcid.org/0000-0003-3986-6883"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xu, Nan","raw_affiliation_strings":["Zhejiang University"],"raw_orcid":"https://orcid.org/0000-0003-3986-6883","affiliations":[{"raw_affiliation_string":"Zhejiang University","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055748250","display_name":"Petter Rosander","orcid":null},"institutions":[{"id":"https://openalex.org/I66862912","display_name":"Chalmers University of Technology","ror":"https://ror.org/040wg7k59","country_code":"SE","type":"education","lineage":["https://openalex.org/I66862912"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Rosander, Petter","raw_affiliation_strings":["Chalmers University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chalmers University of Technology","institution_ids":["https://openalex.org/I66862912"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084075259","display_name":"C. Sch\u00e4fer","orcid":"https://orcid.org/0000-0002-8557-733X"},"institutions":[{"id":"https://openalex.org/I66862912","display_name":"Chalmers University of Technology","ror":"https://ror.org/040wg7k59","country_code":"SE","type":"education","lineage":["https://openalex.org/I66862912"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Sch\u00e4fer, Christian","raw_affiliation_strings":["Chalmers University of Technology"],"raw_orcid":"https://orcid.org/0000-0002-8557-733X","affiliations":[{"raw_affiliation_string":"Chalmers University of Technology","institution_ids":["https://openalex.org/I66862912"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011010155","display_name":"Eric Lindgren","orcid":"https://orcid.org/0000-0002-8549-6839"},"institutions":[{"id":"https://openalex.org/I66862912","display_name":"Chalmers University of Technology","ror":"https://ror.org/040wg7k59","country_code":"SE","type":"education","lineage":["https://openalex.org/I66862912"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Lindgren, Eric","raw_affiliation_strings":["Chalmers University of Technology"],"raw_orcid":"https://orcid.org/0000-0002-8549-6839","affiliations":[{"raw_affiliation_string":"Chalmers University of Technology","institution_ids":["https://openalex.org/I66862912"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074525188","display_name":"Nicklas \u00d6sterbacka","orcid":"https://orcid.org/0000-0002-6043-4607"},"institutions":[{"id":"https://openalex.org/I66862912","display_name":"Chalmers University of Technology","ror":"https://ror.org/040wg7k59","country_code":"SE","type":"education","lineage":["https://openalex.org/I66862912"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"\u00d6sterbacka, Nicklas","raw_affiliation_strings":["Chalmers University of Technology"],"raw_orcid":"https://orcid.org/0000-0002-6043-4607","affiliations":[{"raw_affiliation_string":"Chalmers University of Technology","institution_ids":["https://openalex.org/I66862912"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056893401","display_name":"Mandi Fang","orcid":"https://orcid.org/0009-0006-8273-3508"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fang, Mandi","raw_affiliation_strings":["Zhejiang University"],"raw_orcid":"https://orcid.org/0009-0006-8273-3508","affiliations":[{"raw_affiliation_string":"Zhejiang University","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049359629","display_name":"Wei Chen","orcid":"https://orcid.org/0000-0002-0165-4896"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chen, Wei","raw_affiliation_strings":["Chinese Academy of Sciences"],"raw_orcid":"https://orcid.org/0000-0002-0165-4896","affiliations":[{"raw_affiliation_string":"Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080069508","display_name":"Yi He","orcid":"https://orcid.org/0000-0002-8807-0892"},"institutions":[{"id":"https://openalex.org/I201448701","display_name":"University of Washington","ror":"https://ror.org/00cvxb145","country_code":"US","type":"education","lineage":["https://openalex.org/I201448701"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN","US"],"is_corresponding":false,"raw_author_name":"He, Yi","raw_affiliation_strings":["Zhejiang University","University of Washington"],"raw_orcid":"https://orcid.org/0000-0002-8807-0892","affiliations":[{"raw_affiliation_string":"Zhejiang University","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"University of Washington","institution_ids":["https://openalex.org/I201448701"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028970783","display_name":"Zheyong Fan","orcid":"https://orcid.org/0000-0002-2253-8210"},"institutions":[{"id":"https://openalex.org/I97009856","display_name":"Bohai University","ror":"https://ror.org/01kdzej58","country_code":"CN","type":"education","lineage":["https://openalex.org/I97009856"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fan, Zheyong","raw_affiliation_strings":["Bohai University"],"raw_orcid":"https://orcid.org/0000-0002-2253-8210","affiliations":[{"raw_affiliation_string":"Bohai University","institution_ids":["https://openalex.org/I97009856"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062333252","display_name":"Paul Erhart","orcid":"https://orcid.org/0000-0002-2516-6061"},"institutions":[{"id":"https://openalex.org/I66862912","display_name":"Chalmers University of Technology","ror":"https://ror.org/040wg7k59","country_code":"SE","type":"education","lineage":["https://openalex.org/I66862912"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Erhart, Paul","raw_affiliation_strings":["Chalmers University of Technology"],"raw_orcid":"https://orcid.org/0000-0002-2516-6061","affiliations":[{"raw_affiliation_string":"Chalmers University of Technology","institution_ids":["https://openalex.org/I66862912"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":5,"corresponding_author_ids":[],"corresponding_institution_ids":[],"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/T10320","display_name":"Neural Networks and Applications","score":0.8379999995231628,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10320","display_name":"Neural Networks and Applications","score":0.8379999995231628,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11324","display_name":"Spectroscopy Techniques in Biomedical and Chemical Research","score":0.71670001745224,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/raman-spectroscopy","display_name":"Raman spectroscopy","score":0.6922302842140198},{"id":"https://openalex.org/keywords/neuroevolution","display_name":"Neuroevolution","score":0.5391350984573364},{"id":"https://openalex.org/keywords/infrared","display_name":"Infrared","score":0.4863198697566986},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4609108567237854},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3955317735671997},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.37145811319351196},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.3280388116836548},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.29409676790237427},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.24487599730491638},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.14807918667793274},{"id":"https://openalex.org/keywords/optics","display_name":"Optics","score":0.07473298907279968}],"concepts":[{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.6922302842140198},{"id":"https://openalex.org/C118070581","wikidata":"https://www.wikidata.org/wiki/Q2060528","display_name":"Neuroevolution","level":3,"score":0.5391350984573364},{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.4863198697566986},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4609108567237854},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3955317735671997},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.37145811319351196},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.3280388116836548},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.29409676790237427},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.24487599730491638},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14807918667793274},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.07473298907279968}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:doi:10.5281/zenodo.10257362","is_oa":true,"landing_page_url":null,"pdf_url":null,"source":{"id":"https://openalex.org/S4406922384","display_name":"Open MIND","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},{"id":"doi:10.5281/zenodo.10257363","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.10257363","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,"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":null,"raw_source_name":null,"raw_type":"Dataset"}],"best_oa_location":{"id":"pmh:doi:10.5281/zenodo.10257362","is_oa":true,"landing_page_url":null,"pdf_url":null,"source":{"id":"https://openalex.org/S4406922384","display_name":"Open MIND","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2168909409","https://openalex.org/W2144357723","https://openalex.org/W2950402165","https://openalex.org/W2114981325","https://openalex.org/W4302038648","https://openalex.org/W2099397840","https://openalex.org/W2249125133","https://openalex.org/W2857150653","https://openalex.org/W1696690530","https://openalex.org/W1985010875"],"abstract_inverted_index":{"This":[0],"record":[1],"contains":[2],"neuroevolution":[3,8],"potential":[4,9],"(NEP)":[5],"and":[6],"tensor":[7],"(TNEP)":[10],"models":[11,30],"(nep*.txt)":[12],"for":[13],"molecular":[14],"water":[15,18],"species,":[16],"liquid":[17],"as":[19,21],"well":[20],"barium":[22],"zirconate,":[23],"along":[24],"with":[25],"training":[26],"data":[27],"(*.zip).":[28],"The":[29],"were":[31],"constructed":[32],"using":[33],"GPUMD":[34],"3.9":[35],"(https://gpumd.org/).":[36]},"counts_by_year":[],"updated_date":"2026-07-01T06:00:48.157686","created_date":"2025-10-10T00:00:00"}
