Acquisition of Computer Infrastructure for the San Diego State University Computational Science Research Center

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With support from the Major Research Instrumentation (MRI) Program, the Computational Science Research Center at San Diego State University will acquire a computer system consisting of an Intel/Linux cluster and 4 workstations. This equipment will enhance research in the following areas: a) calculation of structural and dynamical properties of reactive chemical intermediates with low-barrier mechanisms for chemical transformation; b) development of numerical integration techniques for application to oceanic flow patterns around static objects; c) modeling of protein-protein docking as a component in iterative protein design techniques; d) development and testing of mathematical models of flame dynamics; e) simulation of collisions between different planets and between planets and their suns; f) calculation of dynamical properties in quantum fluids; and g) three-dimensional mapping of mitochondrial structures and associated statistical analysis. A cluster of fast, modern computer workstations is vital to serving the computing needs of active research departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, provides state-of-the-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing. These studies will have a significant impact in a wide number of areas, including biochemistry, ocean sciences, drug development, combustion chemistry, astronomy, and materials sciences.