LMFF: Efficient and Scalable Layered Materials Force Field on Heterogeneous Many-Core Processors

Ping Gao,Xiaohui Duan,Jiaxu Guo,Jin Wang,Zhenya Song,Lizhen Cui,Xiangxu Meng,Xin Liu,Wusheng Zhang,Ming Ma,Guohui Li,Dexun Chen,Haohuan Fu,Wei Xue,Weiguo Liu,Guangwen Yang

SC21 INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS（2021）

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关键词

High Performance Computing,Molecular Dynamics,LAMMPS,Inter-Layer Potential (IP),Tersoff,Hybrid Potentials Simulation,Computational Science,next -generation Sunway Supercomputer

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