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

K. Lejaeghere, L. Vanduyfhuys, T. Verstraelen, V. Van Speybroeck, S. Cottenier, Computational Materials Science, 117, 390-396, 2016
K. Leus, T. Bogaerts, J. De Decker, H. Depauw, K. Hendrickx, H. Vrielinck, V. Van Speybroeck, P. Van der Voort, Microporous and Mesoporous Materials, 226, 110-116, 2016
S.K. Mohanta, S. Cottenier, S.N. Mishra, Journal of Magnetism and Magnetic Materials, 405, 107-116, 2016

Latest news

General news
Coordinated by the Center of Molecular Modeling, a large grassroots collaboration involving over 30 universities and institutes was able to prove the equivalence of density-functional theory (DFT) results independent of the used software package.... meer
IAP P7/05 Lecture
On January 14, 2016, Prof. Monique van der Veen will give a lecture entitled 'Unravelling the photo-excited charge transfer and photocatalytic functioning of metal-organic frameworks' in Auditorium

Latest press release

24/03/2016
Betrouwbaarheid van materiaalsimulaties bewezen via online internationaal onderzoek
→ De jongste generatie computercodes levert volledig gelijkwaardige voorspellingen van materiaalgedrag, onafhankelijk van de gebruikte software... meer