The recent successes of theoretical chemistry with improved programs and faster computers have generated the need for still faster machines. Experienced users wish to solve larger and larger problems of more and more relevance to the experimental chemist. Similarly, experimental chemists, seeing these results, are compelled to become new users. The acquisition of state-of-the-art computing equipment is essential to the modern chemistry department carrying out frontier research. The Department of Chemistry of the University of Washington will use this award from the Chemistry Shared Instrumentation Program to help upgrade an extant Convex minisupercomputer. Among the areas of chemical research that will be enhanced by the upgrade are the following: 1) Ab-initio electronic structure calculations of organic and organometallic compounds and reactions 2) The tuneable wavepacket propagator 3) Generalized wavepacket dynamics 4) Atom-imperfect surface collisions 5) Spectroscopy/dynamics of small polyatomic molecules 6) Quantum simulation of van der Waals clusters 7) Classical/semiclassical simulation of liquids 8) Quantum scattering theory
