Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers
Author: Zhikun Wu; Yangjun Wu; Ying Liu; Honghui Shang; Yingxiang Gao; Zhongcheng Zhang; Yuyang Zhang; Yingchi Long; Xiaobing Feng; Huimin Cui
@inproceedings{SC23_aims_dfpt,
address = {New York, NY, USA},
articleno = {40},
author = {Wu, Zhikun and Wu, Yangjun and Liu, Ying and Shang, Honghui and Gao, Yingxiang and Zhang, Zhongcheng and Zhang, Yuyang and Long, Yingchi and Feng, Xiaobing and Cui, Huimin},
booktitle = {Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis},
doi = {10.1145/3581784.3607085},
isbn = {9798400701092},
keywords = {all-electron, scalability, quantum mechanics, perturbation theory, heterogeneous many-core supercomputers, biological systems},
location = {Denver, CO, USA},
numpages = {13},
publisher = {Association for Computing Machinery},
series = {SC '23},
title = {Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers},
url = {https://doi.org/10.1145/3581784.3607085},
year = {2023}
}