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Accurate potential energy surfaces using atom-centered potentials and minimal high-level data

dc.contributor.authorAshani, M. N.
dc.contributor.authorHuang, Q.
dc.contributor.authorFlowers, A. M.
dc.contributor.authorBrown, A.
dc.contributor.authorAerts, A.
dc.contributor.authorOtero de la Roza, Alberto 
dc.contributor.authorDiLabio, G. A.
dc.date.accessioned2024-02-26T07:38:07Z
dc.date.available2024-02-26T07:38:07Z
dc.date.issued2023
dc.identifier.citationJournal of Physical Chemistry A, 127(38), p. 8015–8024 (2023); doi:10.1021/acs.jpca.3c04558
dc.identifier.issn1089-5639
dc.identifier.urihttps://hdl.handle.net/10651/71505
dc.description.sponsorshipG.A.D. thanks the Digital Research Alliance of Canada and The University of British Columbia’s Advanced Research Computing for computing facilities, and the Natural Sciences and Engineering Research Council of Canada, the Canadian Foundation for Innovation, and the British Columbia Knowledge Development Fund for funding support. A.O.d.l.R. thanks the Spanish Ministerio de Ciencia e Innovación and the Agencia Estatal de Investigación, project PGC2021-125518NB-I00 co-financed by EU FEDER funds; the Principality of Asturias (FICYT), project AYUD/2021/51036 co-financed by EU FEDER; and the Spanish MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/PRTR for grant TED2021-129457B-I00. A.A. thanks the Institut Interuniversitaire des Sciences Nucléaires (IISN) for financial support. A.B. thanks the Natural Sciences and Engineering Research Council of Canada (NSERC Discovery Grant) for support.
dc.format.extentp. 8015–8024
dc.language.isoeng
dc.relation.ispartofJournal of Physical Chemistry A
dc.rights© 2023 American Chemical Society.
dc.rightsCC Reconocimiento – No Comercial – Sin Obra Derivada 4.0 Internacional
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourceScopus
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85174273307&doi=10.1021%2facs.jpca.3c04558&partnerID=40&md5=30a9d63ef8a40ff037960d27b725315f
dc.titleAccurate potential energy surfaces using atom-centered potentials and minimal high-level data
dc.typejournal article
dc.identifier.doi10.1021/acs.jpca.3c04558
dc.relation.projectIDPGC2021-125518NB-I00
dc.relation.projectIDAYUD/2021/51036
dc.relation.projectIDTED2021-129457B-I00
dc.relation.publisherversionhttp://dx.doi.org/10.1021/acs.jpca.3c04558
dc.rights.accessRightsopen access
dc.type.hasVersionAM


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