Art

J-GLOBAL ID：201902289224749939   Reference number：19A2919737

Thermodynamic integration by neural network potentials based on first-principles dynamic calculations

第一原理動的計算に基づく神経回路網ポテンシャルによる熱力学的積分【JST・京大機械翻訳】

Author (10)： Fukushima Shogo (Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan) ,  Ushijima Eisaku (Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan) ,  Kumazoe Hiroyuki (Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan) ,  Koura Akihide (Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan) ,  Shimojo Fuyuki (Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan) ,  Shimamura Kohei (Graduate School of System Informatics, Kobe University, Kobe 657-8501, Japan) ,  Misawa Masaaki (Faculty of Science and Engineering, Kyushu Sangyo University, Fukuoka 813-8503, Japan) ,  Kalia Rajiv K. (Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, California 90089, USA) ,  Nakano Aiichiro (Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, California 90089, USA) ,  Vashishta Priya (Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, California 90089, USA)
Material： Physical Review. B  (Physical Review. B. Covering Condensed Matter and Materials Physics)
Volume： 100  Issue： 21  Page： 214108  Publication year： 2019 
JST Material Number： D0746A  ISSN： 2469-9950  CODEN： PRBMDO  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Simulation-size effect in eval...

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Thesaurus term： *neural network (network) ,  solid phase ,  Rubidium ,  molecular dynamics ,  melting point ,  numerical integration ,  optimization ,  neural network (biomodel) ,  *Thermodynamics ,  interatomic potential ,  size effect ,  Computer Simulation ,  Machine Learning ,  liquid phase ,  simulation ,  free energy ,  phase (thermodynamics) ,  modification ,  computer application ,  utilization

JST classification (1)： Random systems in general  (BM06081C)

Terms in the title (5)： 第一原理 ,  計算 ,  神経回路網 ,  ポテンシャル ,  熱力学的積分