In the Theoretical Materials Physics Group, we use state of the art first principles methods to perform materials by design: Not only explain, but also predict the properties of crystalline matter, and come up with new compounds with superior physical properties. Our research interests lie on the intersection of solid state physics, structural chemistry, and materials science. Our long term research goal is to identify materials realizations of the exotic phases in condensed matter.
We work on a wide array of materials that host interesting phenomena, such as ferroelectrics, multiferroics, spin-orbit coupled Mott insulators, and high temperature superconductors. Our ab initio tool box includes not only the standard Kohn-Sham Density Functional Theory (DFT), but also more advanced methods that build upon DFT, such as the Embedded Dynamical Mean Field Theory, and evolutionary structure prediction algorithms. See the research page for more details.