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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：18/0  |  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：44/0  |  提交时间：2022/06/21
Optimization  Bandwidth  Supercomputers  Electric potential  Boundary conditions  Electrostatics  Silicon  Poisson solver  architecture-specific optimizations  many-core processor  
Capturing the Electron-Phonon Renormalization in Molecules from First-Principles 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 卷号: 125, 期号: 12, 页码: 2682-2689
作者:  Shang, Honghui;  Yang, Jinlong
收藏  |  浏览/下载：25/0  |  提交时间：2021/12/01
Assessment of the Mass Factor for the Electron-Phonon Coupling in Solids 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125, 期号: 11, 页码: 6479-6485
作者:  Shang, Honghui;  Zhao, Jin;  Yang, Jinlong
收藏  |  浏览/下载：26/0  |  提交时间：2021/12/01
Anharmonic Raman spectra simulation of crystals from deep neural networks 期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 3, 页码: 6
作者:  Shang, Honghui;  Wang, Haidi
收藏  |  浏览/下载：32/0  |  提交时间：2021/12/01
Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals 期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 6
作者:  Shang, Honghui;  Yang, Jinlong
收藏  |  浏览/下载：24/0  |  提交时间：2021/12/01
MP2  NAO  real-space  Hartree–  Fock  periodic system