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

Authors :
Xiang, Chunyang
Jia, Weile
Fang, Wei-Hai
Li, Zhendong
Source :
Journal of Chemical Theory & Computation; 1/23/2024, Vol. 20 Issue 2, p775-786, 12p
Publication Year :
2024

Details

Language :
English
ISSN :
15499618
Volume :
20
Issue :
2
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
175007062
Full Text :
https://doi.org/10.1021/acs.jctc.3c01228