The emergence of a class of computational hardware with both graphics and near supercomputer capability, available to the chemist at a relatively modest price, is a recent phenomenon. Such instrumentation allows chemists to effectively carry out projects that involve both large scale computations and algorithm development as well as projects in which interactive graphics are essential. The Department of Chemistry at Northwestern University will use this award from the Chemical Instrumentation Program to help acquire a mini-supercomputer system with advanced work stations. The acquisition will enhance chemical research in the the following areas: 1) X-ray crystallographic studies 2) Reactive intermendiates in organic reactions 3) Development and testing of nonlinear optical materials 4) Gas phase dynamics of chemical reactions 5) Self-consistent field approximations for vibrational dynamics 6) Electronic structure studies of photochemical reactions.
