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MPS-VQE: A variational quantum computational chemistry simulator with matrix product states 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2024, 卷号: 294, 页码: 9
作者:  Xu, Zhiqian;  Fan, Yi;  Guo, Chu;  Shang, Honghui
收藏  |  浏览/下载：8/0  |  提交时间：2023/12/04
Quantum computing  Variational quantum eigensolver  Matrix product state  Quantum chemistry  Parallel scalability  
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  
OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources (vol 11, 1156891, 2023) 期刊论文
FRONTIERS IN CHEMISTRY, 2023, 卷号: 11, 页码: 1
作者:  Wu, Zhikun;  Shang, Honghui;  Wu, Yangjun;  Zhang, Zhongcheng;  Liu, Ying;  Zhang, Yuyang;  Ouyang, Yucheng;  Cui, Huimin;  Feng, Xiaobing
收藏  |  浏览/下载：7/0  |  提交时间：2023/12/04
OpenCL  DFPT  GPU  optimization  heterogeneous  
OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources 期刊论文
FRONTIERS IN CHEMISTRY, 2023, 卷号: 11, 页码: 15
作者:  Wu, Zhikun;  Shang, Honghui;  Wu, Yangjun;  Zhang, Zhongcheng;  Liu, Ying;  Zhang, Yuyang;  Ouyang, Yucheng;  Cui, Huimin;  Feng, Xiaobing
收藏  |  浏览/下载：7/0  |  提交时间：2023/12/04
OpenCL  DFPT  GPU  optimization  heterogeneous  
Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 页码: 15
作者:  Tahir, Muhammad N.;  Zhu, Tong;  Shang, Honghui;  Li, Jia;  Blum, Volker;  Ren, Xinguo
收藏  |  浏览/下载：20/0  |  提交时间：2022/12/07
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  
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：24/0  |  提交时间：2022/12/07
antimony chalcogenides  carrier self-trapping  electron-phonon interaction  
Growth, Raman Scattering Investigation and Photodetector Properties of 2D SnP 期刊论文
SMALL, 2022, 页码: 9
作者:  Ding, Chuyun;  Yao, Yuyu;  Zhu, Leilei;  Shang, Honghui;  Xu, Peng;  Liu, Xiaolin;  Lin, Jia;  Wang, Feng;  Zhan, Xueying;  He, Jun;  Wang, Zhenxing
收藏  |  浏览/下载：18/0  |  提交时间：2022/12/07
2D layered materials  chemical vapor deposition  field-effect transistors (FETs)  Raman scattering  SnP nanosheets  
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  
Controlled synthesis and Raman study of a 2D antiferromagnetic P-type semiconductor: alpha-MnSe dagger 期刊论文
NANOSCALE, 2021, 页码: 12
作者:  Li, Ningning;  Zhu, Leilei;  Shang, Honghui;  Wang, Feng;  Zhang, Yu;  Yao, Yuyu;  Wang, Junjun;  Zhan, Xueying;  Wang, Fengmei;  He, Jun;  Wang, Zhenxing
收藏  |  浏览/下载：51/0  |  提交时间：2021/12/01