My group is interested in students with backgrounds in engineering, chemistry, materials science, computer science, and physics. We use high-performance computing to simulate materials at the atomic scale and to predict new materials with superior properties. 

Student researchers who join the effort will gain experience in scientific computing, parallel computing,  the chemistry/physics of the materials they are simulating, and atomistic simulation techniques. Simulation techniques in use by the group include molecular dyanmics, density functional theory, and various flavors of monte carlo (kinetic monte carlo, grand canonical monte carlo, gibbs ensemble monte carlo). 

Applications of interest include battery materials (electrical energy storage), thermal energy storage,  chemical energy storage (hydrogen, natural gas), and water harvesting.