MatCat Group operates within the Donostia Kimika Teorikoa Laboratory and specializes in theoretical and computational approaches to catalysis and materials. Under the leadership of Dr. Elisa Jimenez-Izal and Prof. Jose M. Mercero, the group aims to advance fundamental understanding of catalytic processes at surfaces, electrochemical interfaces and materials with uncommon chemical bonding through state-of-the-art electronic structure methods and multiscale modeling.

The core research lines of the group are outlined below.