Detroit MI 48202 USA
Our NSF and DOE funded research programs focus on quantum chemical dynamics: the application of quantum mechanical methods to a variety of chemical processes including bimolecular and unimolecular reactions, photodissociation, and nonadiabatic effects. A recent research direction is the use of quantum methods to explore the dynamics of chemical systems in confined environments, in particular in nanotubes. We are especially interested in applying quantum dynamics methods to larger, and more complex systems involving more than four atoms. Because our calculations are computationally intensive, we devote much effort to algorithmic and computational issues, including high performance and parallel computing.