Basic HTML version of Foils prepared May 12 1996

Foil 41 Computational Chemistry at NPAC -- Related Projects

From Overview of HPCC Applications at NPAC CRPC Annual Meeting -- May 14-17 1996. by Geoffrey Fox


Web-based Global Arrays (similar to WebHPF)
being developed by Kivanc Dincer (NPAC)
Parallel I/O requirements of NWChem algorithms with Alok Choudhary (SU) and Dan Reed (UIUC)
Global Arrays on top of Active Messages with Nikos Chrisochoides (Cornell)
Development of new theoretical methods and new algorithms for large-scale correlated calculations
Chemical applications in collaboration with Syracuse and PNNL chemists
Future Plans: Model computational chemistry applications in HPF (port from Global Array-based algorithms)



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