The Hautier research group

Our group uses ab initio computations to study, understand and design new materials. We are especially active in high-throughput computational approaches where properties for thousands of materials are automatically computed to search for new advanced materials. We apply these techniques in many technologically relevant fields from energy storage (e.g., Li-ion batteries) to opto-electronic materials (e.g., transparent conducting oxides). We are part of the Institute of Condensed Matter and Nanosciences at the Université catholique de Louvain in Belgium.