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Many-Body Quantum Chemistry on Massively Parallel Computers.
- 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