Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers-Reference-Cited by-同舟云学术

Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers

Published:2023-11-11 Issue: Volume: Page:
ISSN:
Container-title:Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
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Author:

Wu Zhikun¹²^ORCID,Wu Yangjun¹²^ORCID,Liu Ying¹^ORCID,Shang Honghui³^ORCID,Gao Yingxiang⁴^ORCID,Zhang Zhongcheng¹²^ORCID,Zhang Yuyang¹²^ORCID,Long Yingchi¹⁵^ORCID,Feng Xiaobing¹²^ORCID,Cui Huimin¹²^ORCID

Affiliation:

1. Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China

2. University of Chinese Academy of Sciences, Beijing, China

3. University of Science and Technology of China, Hefei, China

4. National Supercomputer Center in Tianjin, Tianjin, China

5. Harbin Institute of Technology, Beijing, China

Funder

National Key R&D Program of China

National Natural Science Foundation of China

Publisher

ACM

Link

https://dl.acm.org/doi/pdf/10.1145/3581784.3607085

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4. First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

5. All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT