His research focuses on topics in catalysis and materials science relevant to the production and utilization of energy. His research group uses tools from computational chemistry and physics combined with insights from experimental characterization to study adsorption and transport in porous materials, such as zeolites; damage in metals due to irridation; simulation of plasma-facing and fusion-relevant materials; and the role of impurities and defects in catalysis and materials science. His work potentially influences chemical separations, biomass-derived fuels, membrane separations processes, plasma devices and nuclear fusion reactors.