OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources (vol 11, 1156891, 2023)

被引:0
作者
Wu, Zhikun [1 ]
Shang, Honghui [1 ]
Wu, Yangjun [1 ]
Zhang, Zhongcheng [1 ]
Liu, Ying [1 ]
Zhang, Yuyang [1 ]
Ouyang, Yucheng [1 ]
Cui, Huimin [1 ]
Feng, Xiaobing [1 ]
机构
[1] Chinese Acad Sci, Inst Comp Technol, Beijing, Peoples R China
来源
FRONTIERS IN CHEMISTRY | 2023年 / 11卷
关键词
OpenCL; DFPT; GPU; optimization; heterogeneous;
D O I
10.3389/fchem.2023.1239854
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页数:1
相关论文
共 1 条
[1]   OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources [J].
Wu, Zhikun ;
Shang, Honghui ;
Wu, Yangjun ;
Zhang, Zhongcheng ;
Liu, Ying ;
Zhang, Yuyang ;
Ouyang, Yucheng ;
Cui, Huimin ;
Feng, Xiaobing .
FRONTIERS IN CHEMISTRY, 2023, 11