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Gaussian approximation potentials: Theory, software implementation and application examples.
Klawohn, Sascha; Darby, James P; Kermode, James R; Csányi, Gábor; Caro, Miguel A; Bartók, Albert P.
Afiliación
  • Klawohn S; Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom.
  • Darby JP; Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom.
  • Kermode JR; Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom.
  • Csányi G; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom.
  • Caro MA; Department of Chemistry and Materials Science, Aalto University, 02150 Espoo, Finland.
  • Bartók AP; Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom and Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom.
J Chem Phys ; 159(17)2023 Nov 07.
Article en En | MEDLINE | ID: mdl-37929869
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2023 Tipo del documento: Article País de afiliación: Reino Unido
Texto completo
Imprimir
XML
PubMed Links
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2023 Tipo del documento: Article País de afiliación: Reino Unido