Distributed Multi-GPU <i>Ab Initio</i> Density Matrix Renormalization Group Algorithm with Applications to the P-Cluster of Nitrogenase-Reference-Cited by-同舟云学术

Distributed Multi-GPU Ab Initio Density Matrix Renormalization Group Algorithm with Applications to the P-Cluster of Nitrogenase

Published:2024-01-10 Issue:2 Volume:20 Page:775-786
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Xiang Chunyang¹²,Jia Weile¹²,Fang Wei-Hai³^ORCID,Li Zhendong³^ORCID

Affiliation:

1. State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing 100190, China

2. University of Chinese Academy of Sciences, Beijing 100190, China

3. Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China

Funder

Fundamental Research Funds for the Central Universities

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01228

Reference84 articles.

1. Density matrix formulation for quantum renormalization groups

2. Density-matrix algorithms for quantum renormalization groups

3. Ab initio quantum chemistry using the density matrix renormalization group

4. Full-CI quantum chemistry using the density matrix renormalization group

5. Quantum chemistry using the density matrix renormalization group

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