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Nudged elastic band calculations accelerated with Gaussian process regression.
Koistinen, Olli-Pekka; Dagbjartsdóttir, Freyja B; Ásgeirsson, Vilhjálmur; Vehtari, Aki; Jónsson, Hannes.
Afiliación
  • Koistinen OP; Helsinki Institute for Information Technology HIIT, Department of Computer Science, Aalto University, Espoo, Finland.
  • Dagbjartsdóttir FB; Science Institute and Faculty of Physical Sciences, University of Iceland, Reykjavík, Iceland.
  • Ásgeirsson V; Science Institute and Faculty of Physical Sciences, University of Iceland, Reykjavík, Iceland.
  • Vehtari A; Helsinki Institute for Information Technology HIIT, Department of Computer Science, Aalto University, Espoo, Finland.
  • Jónsson H; Science Institute and Faculty of Physical Sciences, University of Iceland, Reykjavík, Iceland.
J Chem Phys ; 147(15): 152720, 2017 Oct 21.
Article en En | MEDLINE | ID: mdl-29055305
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2017 Tipo del documento: Article País de afiliación: Finlandia
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2017 Tipo del documento: Article País de afiliación: Finlandia