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Redesigning OpenKMC for Multi-Component Trillion-Atom Simulations on the New Sunway Supercomputer 期刊论文
IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2023, 卷号: 34, 期号: 7, 页码: 1997-2010
作者:  Xu, Lei;  Shang, Honghui;  Chen, Xin;  Zhang, Yunquan;  Wang, Lifang;  Gao, Xingyu;  Song, Haifeng
收藏  |  浏览/下载:8/0  |  提交时间:2023/12/04
Metals  Computational modeling  Monte Carlo methods  Kinetic theory  Aging  Steel  Silicon  Atomic kinetic Monte Carlo  many-core processor  scalability  
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:35/0  |  提交时间:2021/12/01
Density-functional perturbation theory  Many-core architecture  Linear scaling  MPI  Numeric atomic orbitals  
Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 258, 页码: 11
作者:  Shang, Honghui;  Liang, WanZhen;  Zhang, Yunquan;  Yang, Jinlong
收藏  |  浏览/下载:34/0  |  提交时间:2021/12/01
Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory  
The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2020, 卷号: 254, 页码: 9
作者:  Shang, Honghui;  Xu, Lei;  Wu, Baodong;  Qin, Xinming;  Zhang, Yunquan;  Yang, Jinlong
收藏  |  浏览/下载:50/0  |  提交时间:2020/12/10
Density-functional theory  Hartree-Fock  Hybrid functionals  Numeric atomic orbitals  Linear scaling  MPI  
The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package 期刊论文
INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS, 2020, 卷号: 34, 期号: 2, 页码: 159-168
作者:  Qin, Xinming;  Shang, Honghui;  Xu, Lei;  Hu, Wei;  Yang, Jinlong;  Li, Shigang;  Zhang, Yunquan
收藏  |  浏览/下载:45/0  |  提交时间:2020/12/10
Distributed algorithms  hybrid density-functional calculations  HONPAS package  electron repulsion integrals  parallel implementation