My research interests have centered
around on understanding properties of materials in
condensed and molecular phases from theoretical
simulations. The basic motivation is to explain,
understand, and predict various physical and
chemical processes.
I use computer modeling and simulation tools that are
strongly rooted in fundamental physics (quantum
mechanics and statistical physics). For
example, density-functional theory is used to describe
electronic structure, the Lifshitz theory is used to
calculate van der Waals forces, and molecular
dynamics simulation is employed to study
properties of liquids.
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