Common Architecture Chemistry Components for Terascale Simulations
EMSL Project ID
5092
Abstract
We plan to utilize the HP cluster for porting and testing of our Common Component Architecture infrastructure and components on the IA64 architecture. In addition, we will utilize this platform in the further exploration and development of component technology in the quantum chemistry domain.
Project Details
Project type
Exploratory Research
Start Date
2003-10-02
End Date
2004-10-07
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Apra E., E.J. Bylaska, W.A. De Jong, N. Govind, K. Kowalski, T.P. Straatsma, and M. Valiev, et al. 2020. "NWChem: Past, Present, and Future." The Journal of Chemical Physics 152, no. 18:184102. PNNL-SA-151542. doi:10.1063/5.0004997