We work both in the development of simulation techniques and in their application to different problems.

• Computational and theoretical condensed matter physics.
• Complex solids and liquids, using first-principles molecular dynamics based on density-functional theory and on linear-scaling density-functional theory.
• Nanoscale oxide heterostructures including multiferroics, liquid water, and water/solid interfaces, and non-adiabatic processes related to radiation damage of materials.