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


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

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