Title | Utilizing Dataflow-based Execution for Coupled Cluster Methods |
Publication Type | Conference Paper |
Year of Publication | 2014 |
Authors | McCraw, H., A. Danalis, T. Hérault, G. Bosilca, J. Dongarra, K. Kowalski, and T. Windus |
Conference Name | IEEE Cluster 2014 |
Date Published | September |
Publisher | IEEE |
Conference Location | Madrid, Spain |
Other Numbers | pp. 296-297 |
Abstract | Computational chemistry comprises one of the driving forces of High Performance Computing. In particular, many- body methods, such as Coupled Cluster methods (CC) [1] of the quantum chemistry package NWCHEM [2], are of particular interest for the applied chemistry community. |
DOI | |
Refereed Designation | Refereed |