active collaborations


Prof. Francesc Illas

Faculty of Chemistry, University of Barcelona


Topics: Metals and metal oxides; Bulk and surfaces; DFT studies; Heteregeneous catalysis.

Prof. Miguel Jorge

Department of Chemical Engineering, University of Stratchclyde


Topics: Adsorption of small gaseous molecules into porous materials; Synthesis of nanoporous materials; Transferability of potential parameters.

Dr. Luis Mafra

CICECO, University of Aveiro


Topics: Aiding NMR interpretation by density functional theory calculations of chemical shifts.

Prof. Moisés Pinto

CERENA, IST, University of Lisbon


Topics: Adsorption of small gaseous molecules into porous materials.

Prof. João Coutinho

CICECO, University of Aveiro


Topics: Simulations of the interactions of ionic liquids with (bio)organic species.

Dr. Paula Ferreira

CICECO, University of Aveiro


Topics: Synthesis of adsorbents for gas adsorption/separation applications.

Prof. João Tedim

CICECO, University of Aveiro


Topics: Understanding the action mechanisms of corrosion inhibitors.