Welcome to the Center for Molecular Modeling

The Center for Molecular Modeling focuses on frontier research in six major areas - chemical kinetics in nanoporous materials, computational material research on the nanoscale, spectroscopy, many-particle physics, model development & bio- and organic chemistry. Our multidisciplinary research team is currently composed of about 35 researchers from the Faculties of Sciences (WE05) and Engineering and Architecture (EA17, EA10) of Ghent University.

The thesis subjects offered in the academic year 2016-2017 are available now! Have a look!

New A1-publications

J. Wieme, L. Vanduyfhuys, S.M.J. Rogge, M. Waroquier, V. Van Speybroeck, Journal of Physical Chemistry C, 120 (27), 14934-14947, 2016
P. Claeys, S. De Baerdemacker, D. Van Neck, Physical Review B, 93 (22) 220503(R), 2016
J. Hajek, J. Van der Mynsbrugge, K. De Wispelaere, P. Cnudde, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, Journal of Catalysis, 340, 227 - 235, 2016

Latest news

IAP P7/05 Lecture
On September 15 2016 at 10 AM Dr. Céline Chizallet (IFP Energies nouvelles, France) will give a lecture entitled 'Density functional theory simulations of complex catalytic materials in reactive environments: beyond the ideal surface at low coverage... more
IAP P7/05 Lecture
On June 17 2016 at 10 AM Dr. Eduardo Coutiño (KULeuven) will give a lecture entitled 'Synthesis and characterization of highly luminescent silver clusters stabilized in microporous materials' at the Center for Molecular Modeling in the framework of... more

Latest press release

Betrouwbaarheid van materiaalsimulaties bewezen via online internationaal onderzoek
→ De jongste generatie computercodes levert volledig gelijkwaardige voorspellingen van materiaalgedrag, onafhankelijk van de gebruikte software... more