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ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.
Witt, William C; van der Oord, Cas; Gelzinyte, Elena; Järvinen, Teemu; Ross, Andres; Darby, James P; Ho, Cheuk Hin; Baldwin, William J; Sachs, Matthias; Kermode, James; Bernstein, Noam; Csányi, Gábor; Ortner, Christoph.
Afiliação
  • Witt WC; Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, United Kingdom.
  • van der Oord C; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom.
  • Gelzinyte E; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom.
  • Järvinen T; Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, British Columbia V6T 1Z2, Canada.
  • Ross A; Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, British Columbia V6T 1Z2, Canada.
  • Darby JP; Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom.
  • Ho CH; Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, British Columbia V6T 1Z2, Canada.
  • Baldwin WJ; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom.
  • Sachs M; School of Mathematics, University of Birmingham, Birmingham B15 2TT, United Kingdom.
  • Kermode J; Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom.
  • Bernstein N; Center for Materials Physics and Technology, U.S. Naval Research Laboratory, Washington, District of Columbia 20375, USA.
  • Csányi G; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom.
  • Ortner C; Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, British Columbia V6T 1Z2, Canada.
J Chem Phys ; 159(16)2023 Oct 28.
Article em En | MEDLINE | ID: mdl-37870138
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article