We are interested in electronic structure theory, high-performance computing, and the atomic-scale design of advanced materials using quantum mechanics. Our research sits at the intersection of computational condensed matter theory and materials science.
Some of our activity concentrates on developing novel, more efficient, and more predictive ab initio computational methods that combine density functional theory with many-body techniques drawing from quantum field theory. This work is accompanied by the development of open-source software for materials simulations, which is freely available to the scientific community.
The rest of our activity focuses on designing new materials at the atomic scale. This work has led to the discovery and realization of several new semiconducting materials that are currently being investigated for applications in renewable energy and energy-efficient lighting.