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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