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Scaling Poisson Solvers on Many Cores via MMEwald 期刊论文
IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2022, 卷号: 33, 期号: 8, 页码: 1888-1901
作者:  Wu, Mingchuan;  Wu, Yangjun;  Shang, Honghui;  Liu, Ying;  Cui, Huimin;  Li, Fang;  Duan, Xiaohui;  Zhang, Yunquan;  Feng, Xiaobing
收藏  |  浏览/下载:36/0  |  提交时间:2022/06/21
Optimization  Bandwidth  Supercomputers  Electric potential  Boundary conditions  Electrostatics  Silicon  Poisson solver  architecture-specific optimizations  many-core processor  
Many-core acceleration of the first-principles all-electron quantum perturbation calculations 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 267, 页码: 8
作者:  Shang, Honghui;  Duan, Xiaohui;  Li, Fang;  Zhang, Libo;  Xu, Zhiqian;  Liu, Kan;  Luo, Haiwen;  Ji, Yingrui;  Zhao, Wenxuan;  Xue, Wei;  Chen, Li;  Zhang, Yunquan
收藏  |  浏览/下载:36/0  |  提交时间:2021/12/01
Density-functional perturbation theory  Many-core architecture  Linear scaling  MPI  Numeric atomic orbitals  
Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 卷号: 1204, 页码: 10
作者:  Xu, Lei;  Wang, Li-Fang;  Chen, Xin;  Gao, Xing-Yu;  Shang, Hong-Hui;  Liu, Hai-Feng;  Song, Hai-Feng
收藏  |  浏览/下载:37/0  |  提交时间:2021/12/01
Vacancy defects  Dynamical evolution  Pu-Ga alloy  Actinide metals  Atomistic kinetic Monte Carlo  Molecular dynamics