Computational Chemistry
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Resources '98
Computational Chemistry |
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Reports
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The DOE Grand Challenge in Computational Chemistry. http://www.mcs.anl.gov/Projects/chemacc94.html NWChem-High performance computational chemistry on parallel computers http://www.emsl.pnl.gov:2080/docs/nwchem/nwchem.html Simulation tools for studies of Chemically reacting flows, mesh generation, Comp. Chemistry http://www.cs.sandia.gov/HPCCIT/main.html Using HPC to simulate the formulation of water droplets on Teflon http://www.tc.cornell.edu/ARPA/ |
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Software |
QMView and GAMESS http://www.sdsc.edu |
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