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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  
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:19/0  |  提交时间:2021/12/01
MP2  NAO  real-space  Hartree–  Fock  periodic system