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Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to α-Ag2Se.
Shimamura, Kohei; Fukushima, Shogo; Koura, Akihide; Shimojo, Fuyuki; Misawa, Masaaki; Kalia, Rajiv K; Nakano, Aiichiro; Vashishta, Priya; Matsubara, Takashi; Tanaka, Shigenori.
Afiliación
  • Shimamura K; Graduate School of System Informatics, Kobe University, Kobe 657-8501, Japan.
  • Fukushima S; Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan.
  • Koura A; Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan.
  • Shimojo F; Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan.
  • Misawa M; Faculty of Science and Engineering, Kyushu Sangyo University, Fukuoka 813-8503, Japan.
  • Kalia RK; Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, California 90089-0242, USA.
  • Nakano A; Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, California 90089-0242, USA.
  • Vashishta P; Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, California 90089-0242, USA.
  • Matsubara T; Graduate School of System Informatics, Kobe University, Kobe 657-8501, Japan.
  • Tanaka S; Graduate School of System Informatics, Kobe University, Kobe 657-8501, Japan.
J Chem Phys ; 151(12): 124303, 2019 Sep 28.
Article en En | MEDLINE | ID: mdl-31575208
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Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Guideline Idioma: En Revista: J Chem Phys Año: 2019 Tipo del documento: Article País de afiliación: Japón
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Guideline Idioma: En Revista: J Chem Phys Año: 2019 Tipo del documento: Article País de afiliación: Japón