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 40 researchers from the Faculties of Sciences (WE05) and Engineering and Architecture (EA17, EA08) of Ghent University.

New A1-publications

K. Hendrickx, J.J. Joos, A. De Vos, D. Poelman, P. F. Smet, V. Van Speybroeck, P. Van der Voort, K. Lejaeghere, Inorganic Chemistry, 57, 5463-5474, 2018
S.M.J. Rogge, S. Caroes, R. Demuynck, M. Waroquier, V. Van Speybroeck, A. Ghysels, Journal of Chemical Theory and Computation, 14 (3), 1186-1197, 2018
J. Hajek, C. Caratelli, R. Demuynck, K. De Wispelaere, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, Chemical Science, 9 (10), 2723-2732, 2018


Lecture Prof. Bartolomeo Civalleri
On Wednesday May 2 2018 Prof. Bartolomeo Civalleri of the University of Torino, Italy, will give a lecture entitled 'Large scale hybrid HF/DFT calculations for solids with the CRYSTAL code' at the Center form Molecular Modeling. @ Auditorium... more
Lecture Dr. Francois Xavier Coudert
Dr. Francois Xavier Coudert from Chimie Paris Tech will give a lecture entitled 'Complex behaviour of fluids in confined spaces of soft porous materials' at the Center for Molecular Modleing on April 25 2018 at 10:00 - Room Shingo, Technologiepark... more