Theoretical Chemistry Computer Facility

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This award from the Chemistry Research Instrumentation and Facilities (CRIF) Program and the Major Research Instrumentation (MRI) Program will enable the Department of Chemistry at The University of Washington to acquire a DEC workstation cluster. This upgrade will increase computational speed by more than a factor of five and also allow large core jobs access to a core memory capacity enhanced by a factor of eight. These enhancements will meet the computational needs of chemists working in a variety of research areas including (i) surface and materials chemistry; (ii) theoretical organic chemistry; and (iii) free energies of complex systems and Bose condensation. 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.