Research
Atomic, mesoscopic, and scale-bridging simulations and theory of organic molecular materials, polymers, and nano/mesoscale composites.

Development and implementation of methods for reliable predictions of condensed phase physical properties (mechanical/thermal), processes (kinetics and thermodynamics of phase transitions), and chemical reactivity (chemically reactive fluid flow).

Material response under isentropic or shock wave loading.

Formulation and parameterization of potential-energy functions suitable for calculations under thermodynamic extremes.

Theoretical and computational chemical dynamics of complicated molecular and condensed phase systems, classical, semiclassical, and electronic structure tools.