We develop and employ theoretical and computational methods including Density Functional Theory, Many Body Perturbation Theory (GW/BSE) and ab initio Molecular Dynamics, to understand and predict realistic
complex materials’ properties including optical, electronic transport and catalytic properties at the atomistic levels, for energy conversion and quantum information applications.
Learn about our research and our methods. We provide charts, graphs, and descriptions, and resources to papers that support our theories and approaches.
Resource our publications and documentation. Publications are presented in chronological order to view the evolution of our research and theoretical developments.
Teaching materials and guidelines for students and interested parties. Various lessons plans and educational resources. Additional support for ongoing classes will be posted here.