Department: Department of Physical Chemistry

Faculty: Faculty of Chemistry

Area: Physical Chemistry

Research group: Theorical and computational chemistry


Doctor by the Universidade de Santiago de Compostela with the thesis Estudio teórico estructural de compuestos con unidades N-C-O cálculos "ab initio" y campos de fuerzas de mecánica molecular 1991. Supervised by Dr. Luis Carballeira Ocaña, Dr. Miguel Ángel Ríos Fernández.

I graduated in Chemistry (Physical Chemistry) at the University of Santiago de Compostela and got the PhD at the same University with the Thesis “Theoretical and structural study of systems with N-C-O units. Ab initio calculations and molecular mechanics force fields”. I carried out a postdoc with Prof. Joergensen in the Theoretical Chemistry Group at the University of Aarhus (Denmark). Afther that, I got a position as Associate Professor in the Physical Chemistry Department of the University of Santiago, where now I work as Full Professor. My research is based on the highly accurate evaluation of molecular and intermolecular properties, a field in which I started a new research line at the Physical Chemistry Department with the Quantum Chemistry group. The research is carried out by studying the theory related to the properties of interest, implementing code within the DALTON quantum chemistry program package, and applying the code to the study of a considerable number of chemical problems. Currently, we deal mainly with the study of intermolecular interactions in van der Waals and H-bond complexes.