Purchase of Computational Hardware for Chemistry Research

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*** 9709182 IBERS This award from the Chemistry Research Instrumentation and Facilities (CRIF) Program will assist the Department of Chemistry at Northwestern University to acquire two IBM workstations with associated software. This equipment will enhance research in which the primary applications will center in the areas of electronic structure, both in the development of new codes using density function, relativistic and ab-initio methods, and in applications to problems ranging from chemical dynamics through electron transfer and molecular spectra to embedded clusters. 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-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing. ***