The Quantum Chemistry Group of the Universitat Rovira i Virgili (URV) has a  long-standing research tradition, being founded at the end of the 1970s. The primary goal of the QGC is to contribute to the understanding of the electronic structure and the derived properties of a large variety of systems, related by a common aspect: their complexity.

The present research lines involve the analysis and modeling of (photo-)catalytic reaction mechanisms, both homogeneous and heterogeneous; the physico-chemical properties of carbon nanostructures and polyoxometallates; and the development of the GronOR code for non-orthogonal configuration interaction. Prof. Coen de Graaf is the current director of the group.

Former directors have been Prof. Enric Canadell (1979-1983), Prof. Rosa Caballol (1983-2008) and Prof. Josep-Maria Poblet (2008-2022). The Quantum Chemistry Group belongs to the Department of Physical and Inorganic Chemistry and develops  its activities at the Faculty of Chemistry of the URV. The group intensively collaborates with other research teams, here and abroad.