Many-Body Quantum Chemistry on Massively Parallel Computers.
Chem Rev
; 121(3): 1203-1231, 2021 02 10.
Article
en En
| MEDLINE
| ID: mdl-33305957
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.
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Idioma:
En
Revista:
Chem Rev
Año:
2021
Tipo del documento:
Article
País de afiliación:
Estados Unidos