A Grid Computing Environment for Enabling Large Scale Quantum Mechanical Simulations

Authors:
Jack Dongarra;Padma Raghavan
Affiliations:
-;-
Venue:
GRID '00 Proceedings of the First IEEE/ACM International Workshop on Grid Computing
Year:
2000

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Abstract

This paper describes work-in-progress towards developing a simulation environment that utilizes recent advances in in the areas of grid middleware and computational kernels. Our goal is to develop an environment suitable for composing and deploying an overall high-performance, flexible and robust software solution for large-scale quantum mechanical simulations.