Journal
CHEMICAL REVIEWS
Volume 121, Issue 3, Pages 1203-1231Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.chemrev.0c00006
Keywords
-
Categories
Funding
- U.S. National Science Foundation [1550456, 1800348, 1931347]
- U.S. Department of Energy Office of Science [17-SC-20-SC]
- National Nuclear Security Administration [17-SC-20-SC]
- Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]
- [DE-AC02-06CH11357]
- Office of Advanced Cyberinfrastructure (OAC)
- Direct For Computer & Info Scie & Enginr [1931347] Funding Source: National Science Foundation
Ask authors/readers for more resources
This review examines the deployment of many-body quantum chemistry methods on high-performance computing platforms, specifically focusing on accurate methods like the coupled-cluster method. Before discussing relevant literature, it analyzes the current and future HPC landscape and the computational characteristics of many-body methods that pose challenges to their implementation on HPC systems.
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available