Most chemical processes involve the collective behavior of many atoms.
The challenge for theoretical chemists is to describe the complexities of these multidimensional dynamical processes and to compute accurate structural and rate parameters for them. Our research is concerned with both the development of methods and their applications to study the dynamics of complex chemical and physical processes in many-atom systems. Because of our interest in realistic treatments of large systems there is a strong reliance on classical and semiclassical methods in our work. Explicit treatments of the dynamics require global descriptions of the forces and thus a crucial part of our work is concerned with formulating accurate potential energy surfaces based on ab initio and empirical information. Our approaches are based on classical mechanics, statistical theories, diffusion theory, semiclassical approximations, and Monte Carlo techniques.