My research
interests are in the general area of computational chemistry. In
the past decade, my work has dealt with structure, energetics, and
reactivity of organolithium compounds and gas phase reaction dynamics
including the development of potential energy surfaces. I also have an
active interest in exploring the role of correlation energy in DFT and
wavefunction-based ab initio methods. Most of this work tends to be
intensely computational in
nature, and requires the
use of high-performance computing platforms. Projects
currently in progress in include the study of the reaction mechanisms
of organolithium and organomercury compounds in gas phase as well as
condensed phases, the calculation of electrostatic surface potentials
of aromatic thiols adsorbed on gold surfaces, and the development
of computationally efficient methods for the propagation of quantum
wavepackets.