Our group uses the techniques of density functional theory to understand why the properties of matter change at the nanoscale. This understanding is then leveraged to design novel nanomaterials designed for specific applications.
Density functional theory: This is a very powerful computational technique for solving the quantum many body problem 'ab initio' or from 'first principles'. The only empirical input to the calculation is atomic numbers and atomic masses. For developing this technique, Walter Kohn was given the Nobel Prize in 1998.