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GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations.
Fan, Zheyong; Wang, Yanzhou; Ying, Penghua; Song, Keke; Wang, Junjie; Wang, Yong; Zeng, Zezhu; Xu, Ke; Lindgren, Eric; Rahm, J Magnus; Gabourie, Alexander J; Liu, Jiahui; Dong, Haikuan; Wu, Jianyang; Chen, Yue; Zhong, Zheng; Sun, Jian; Erhart, Paul; Su, Yanjing; Ala-Nissila, Tapio.
Afiliação
  • Fan Z; College of Physical Science and Technology, Bohai University, Jinzhou 121013, People's Republic of China.
  • Wang Y; MSP Group, QTF Centre of Excellence, Department of Applied Physics, Aalto University, FI-00076 Aalto, Espoo, Finland.
  • Ying P; School of Science, Harbin Institute of Technology, Shenzhen 518055, People's Republic of China.
  • Song K; Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China.
  • Wang J; National Laboratory of Solid State Microstructures, School of Physics and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China.
  • Wang Y; National Laboratory of Solid State Microstructures, School of Physics and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China.
  • Zeng Z; Department of Mechanical Engineering, The University of Hong Kong, Pokfulam Road, Hong Kong SAR, China.
  • Xu K; Department of Physics, Research Institute for Biomimetics and Soft Matter, Jiujiang Research Institute and Fujian Provincial Key Laboratory for Soft Functional Materials Research, Xiamen University, Xiamen 361005, People's Republic of China.
  • Lindgren E; Chalmers University of Technology, Department of Physics, 41926 Gothenburg, Sweden.
  • Rahm JM; Chalmers University of Technology, Department of Physics, 41926 Gothenburg, Sweden.
  • Gabourie AJ; Department of Electrical Engineering, Stanford University, Stanford, California 94305, USA.
  • Liu J; Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China.
  • Dong H; College of Physical Science and Technology, Bohai University, Jinzhou 121013, People's Republic of China.
  • Wu J; Department of Physics, Research Institute for Biomimetics and Soft Matter, Jiujiang Research Institute and Fujian Provincial Key Laboratory for Soft Functional Materials Research, Xiamen University, Xiamen 361005, People's Republic of China.
  • Chen Y; Department of Mechanical Engineering, The University of Hong Kong, Pokfulam Road, Hong Kong SAR, China.
  • Zhong Z; School of Science, Harbin Institute of Technology, Shenzhen 518055, People's Republic of China.
  • Sun J; National Laboratory of Solid State Microstructures, School of Physics and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China.
  • Erhart P; Chalmers University of Technology, Department of Physics, 41926 Gothenburg, Sweden.
  • Su Y; Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China.
  • Ala-Nissila T; MSP Group, QTF Centre of Excellence, Department of Applied Physics, Aalto University, FI-00076 Aalto, Espoo, Finland.
J Chem Phys ; 157(11): 114801, 2022 Sep 21.
Article em En | MEDLINE | ID: mdl-36137808
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article