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Solving the Electronic Schr?dinger Equation by Pairing Tensor-Network State with Neural Network Quantum State 期刊论文
MATHEMATICS, 2024, 卷号: 12, 期号: 3, 页码: 16
作者:  Kan, Bowen;  Tian, Yingqi;  Xie, Daiyou;  Wu, Yangjun;  Fan, Yi;  Shang, Honghui
收藏  |  浏览/下载：10/0  |  提交时间：2024/05/20
quantum mechanics  neural network quantum state  high-performance simulations  strongly correlated materials  81-10  
Differentiable matrix product states for simulating variational quantum computational chemistry 期刊论文
QUANTUM, 2023, 卷号: 7, 页码: 15
作者:  Guo, Chu;  Fan, Yi;  Xu, Zhiqian;  Shang, Honghui
收藏  |  浏览/下载：9/0  |  提交时间：2024/05/20
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  
Coupled Electronic and Anharmonic Structural Dynamics for Carrier Self-Trapping in Photovoltaic Antimony Chalcogenides 期刊论文
ADVANCED SCIENCE, 2022, 页码: 9
作者:  Tao, Weijian;  Zhu, Leilei;  Li, Kanghua;  Chen, Chao;  Chen, Yuzhong;  Li, Yujie;  Li, Xufeng;  Tang, Jiang;  Shang, Honghui;  Zhu, Haiming
收藏  |  浏览/下载：31/0  |  提交时间：2022/12/07
antimony chalcogenides  carrier self-trapping  electron-phonon interaction  
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：44/0  |  提交时间：2021/12/01
Density-functional perturbation theory  Many-core architecture  Linear scaling  MPI  Numeric atomic orbitals  
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
The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set 期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 1, 页码: 10
作者:  Shang, Honghui
收藏  |  浏览/下载：25/0  |  提交时间：2021/12/01