Centers and Institutes   |
My primary research interests involve the use of ab-initio molecular dynamics and Density Functional Theory to simulate atomistic processes in complex structured materials for energy conversion and storage. I am interested in understanding how local electronic structure can affect mechanisms of atomistic dynamics and chemical reactions in these materials, with the goal of improving device performance. I am currently examining the stability and reactivity of semiconductor-water interfaces for clean, sustainable production of hydrogen fuel using sunlight and water. Additional interests include dynamical phenomena in electrolyte materials, defect-driven absorption in gas storage media, atomistic mechanisms of surface catalysis, and the structure and dynamics of solid-liquid interfaces.