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.
['Heike McCraw', 'Anthony Danalis', 'Thomas Herault', 'George Bosilca', 'Jack Dongarra', 'Karol Kowalski', 'Theresa L. Windus']
POSTER: Utilizing Dataflow-based Execution for Coupled Cluster Methods