中国科学院计算技术研究所机构知识库

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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
	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
	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：42/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory
	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