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ReaxFF-MPNN machine learning potential: a combination of reactive force field and message passing neural networks.
Xue, Li-Yuan; Guo, Feng; Wen, Yu-Shi; Feng, Shi-Quan; Huang, Xiao-Na; Guo, Lei; Li, Heng-Shuai; Cui, Shou-Xin; Zhang, Gui-Qing; Wang, Qing-Lin.
Affiliation
  • Xue LY; Shandong Provincial Key Laboratory of Optical Communication Science and Technology, Liaocheng, 252000, China. gfeng.alan@gmail.com.
  • Guo F; Shandong Provincial Key Laboratory of Optical Communication Science and Technology, Liaocheng, 252000, China. gfeng.alan@gmail.com.
  • Wen YS; School of Physical Science and Information Technology, Liaocheng University, Liaocheng, 252000, China.
  • Feng SQ; Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), Mianyang, Sichuan, 621900, China. wenys@caep.cn.
  • Huang XN; School of Physics and Electronic Engineering, Zhengzhou University of Light Industry, Zhengzhou, 450002, China.
  • Guo L; School of Power and Mechanical Engineering, Wuhan University, Wuhan, Hubei, 430072, China.
  • Li HS; School of Business, Shandong Normal University, Jinan, 250014, China.
  • Cui SX; Shandong Provincial Key Laboratory of Optical Communication Science and Technology, Liaocheng, 252000, China. gfeng.alan@gmail.com.
  • Zhang GQ; School of Physical Science and Information Technology, Liaocheng University, Liaocheng, 252000, China.
  • Wang QL; School of Physical Science and Information Technology, Liaocheng University, Liaocheng, 252000, China.
Phys Chem Chem Phys ; 23(35): 19457-19464, 2021 Sep 15.
Article in En | MEDLINE | ID: mdl-34524283
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2021 Document type: Article Affiliation country: China Country of publication: United kingdom
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2021 Document type: Article Affiliation country: China Country of publication: United kingdom