Upgrade of the Silicon Graphics Workstation Cluster

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This award from the Chemistry Research Instrumentation and Facilities Program will assist the Department of Chemistry at the University of Nebraska--Lincoln in the purchase of a parallel computational facility using IBM SP2. This equipment will enhance research in a number of areas including the following: (1) Theory and Computer Simulations of Phase Transition, (2) Crystallography, Molecular Modeling of Macromolecular Systems, (c) Molecular Simulations and Modeling of Supramolecular Clusters, (d) NMR-related Theoretical Studies, and (e) Molecular Modeling of Catalyst-Substrate Interactions. A workstation network of fast, modern computer workstations is a new way to satisfy the computing needs of chemistry 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.