Efficient GPU-accelerated molecular dynamics simulation of solid covalent crystals. - Chaofeng Hou; Ji Xu; Peng Wang; Wenlai Huang; Xiaowei Wang (Comput. Phys. Commun., 2013)

Petascale molecular dynamics simulation of crystalline silicon on Tianhe-1A. - Chaofeng Hou; Ji Xu; Peng Wang 028; Wenlai Huang; Xiaowei Wang; Wei Ge; Xianfeng He; Li Guo 001; Jinghai Li (Int. J. High Perform. Comput. Appl., 2013)

The Sunway TaihuLight supercomputer: system and applications. - Haohuan Fu; Junfeng Liao; Jinzhe Yang; Lanning Wang; Zhenya Song; Xiaomeng Huang; Chao Yang 002; Wei Xue 003; Fangfang Liu; Fangli Qiao; Wei Zhao; Xunqiang Yin; et al. (Sci. China Inf. Sci., 2016)

A multilevel-skin neighbor list algorithm for molecular dynamics simulation. - Chenglong Zhang; Mingcan Zhao; Chaofeng Hou; Wei Ge (Comput. Phys. Commun., 2018)

A Communication-Avoiding Algorithm for Molecular Dynamics Simulation. - Bei Wang; Yifeng Chen; Chaofeng Hou (ICA3PP (1), 2019)

Communication Optimization Strategy for Molecular Dynamics Simulation on Sunway TaihuLight. - Bei Wang; Yifeng Chen; Chaofeng Hou (HPCC/DSS/SmartCity, 2020)

Record Atomistic Simulation of Crystalline Silicon: Bridging Microscale Structures and Macroscale Properties. - Chaofeng Hou; Chenglong Zhang; Wei Ge; Lei Wang; Lin Han; Jianmin Pang (J. Comput. Chem., 2020)

Atomistic simulation of low-dimensional nanostructures toward extreme-scale supercomputing. - Chaofeng Hou; Aiqi Zhu; Shuai Zhang; Mingcan Zhao; Yanhao Ye; Ji Xu; Wei Ge (CCF Trans. High Perform. Comput., 2023)