Grid-enabled ensemble subsurface modeling

Authors:
Xin Li;Zhou Lei;Christopher D. White;Gabrielle Allen;Guan Qin;Frank T-C. Tsai
Affiliations:
Louisiana State University;Louisiana State University;Louisiana State University;Louisiana State University;Texas A&M University;Louisiana State University
Venue:
PDCS '07 Proceedings of the 19th IASTED International Conference on Parallel and Distributed Computing and Systems
Year:
2007

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Abstract

This paper introduces evaluations and communication framework for molecular orbital calculations. The total execution time of molecular orbital calculations is almost construction time of Fock matrix. In order to reduce the total execution time on the ...