|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|
|Conference Location||Madrid, Spain|
|Other Numbers||pp. 296-297|
Computational chemistry comprises one of the driving forces of High Performance Computing. In particular, many- body methods, such as Coupled Cluster methods (CC)  of the quantum chemistry package NWCHEM , are of particular interest for the applied chemistry community.