In computational chemistry, my focus is on the properties of clusters and complexes that are of interest in environmental chemistry or as components of nanostructured materials.  Recent work has been on species containing gold, mercury or arsenic or species that are models for aerosols. Some of these projects are computationally intensive, and we are fortunate to be members of SHARCNET, a high-performance computing consortium involving researchers at 11 universities and colleges in southwestern Ontario.

In theoretical chemistry, my focus is on formulations of the quantum-classical correspondence (and quantum and classical mechanics) in which the electron density is the fundamental variable.  This work has relevance to the connection between quantum mechanics and information theory and to the construction of orbital-free kinetic-energy functionals.  I am also interested in understanding and predicting chemical bonding and reactivity using the one-electron potential and other functionals of the electron density.