Purchase and Operation of a Networked Computer System

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High performance graphics and visualization tools are becoming a significant factor in both experimental and computational chemistry. Further, the computing power associated with these systems provides a cost-effective computing resource for groups of investigators. This award from the Chemical Instrumentation Program and the Division of Advanced Scientific Computing will be used by the Department of Chemistry at Rice University to help acquire a networked computer system. The areas of chemical research that will be enhanced by the acquisition include the following: 1) Projects in quantum chemistry 2) Molecular beam reactive scattering 3) Computer simulations of kinetic processes on silicon and diamond surfaces 4) Dynamics of photodissociation in small polyatomic molecules 5) Computational analysis of highly excited and reactive molecular systems 6) Metal and semiconductor cluster surface science 7) Quantum chemistry in support of photophysics and photochemistry research.