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Many-Body Quantum Chemistry on Massively Parallel Computers.

Authors :
Calvin, Justus A.
Peng, Chong
Rishi, Varun
Kumar, Ashutosh
Valeev, Edward F.
Source :
Chemical Reviews. 2/10/2021, Vol. 121 Issue 3, p1203-1231. 29p.
Publication Year :
2021

Abstract

The deployment of many-body quantum chemistry methods onto massively parallel high-performance computing (HPC) platforms is reviewed. The particular focus is on highly accurate methods that have become popular in predictive description of chemical phenomena, such as the coupled-cluster method. The account of relevant literature is preceded by a discussion of the modern and near-future HPC landscape and the relevant computational traits of the many-body methods, in their canonical and reduced-scaling formulations, that underlie the challenges in their HPC realization. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00092665
Volume :
121
Issue :
3
Database :
Academic Search Index
Journal :
Chemical Reviews
Publication Type :
Academic Journal
Accession number :
148702168
Full Text :
https://doi.org/10.1021/acs.chemrev.0c00006