Acquisition of a Multi-Purpose Facility for Computational Chemistry

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ABSTRACT Proposal: 9512467 PI: Cave, R.J. Institution: Harvey Mudd College This award from the Academic Research Infrastructure Program will help the Department of Chemistry at Harvey Mudd College acquire several workstations (two IBM RS600, two SGI Indigo, three SGI Indy and a DEC Alpha 300) to establish a computational facility. The research activity to be supported includes studies of phthalocyanine thin-films on silicon and gold, ab initio studies of electron transfer processes, fluorescence studies of chromophores in micelles, synthetic and physical organic treatment of reactive intermediates, the characterization and phase-behavior of liquid crystalline materials, and the study of self-assembling monolayers. 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.