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. De Wispelaere, J. S. Martínez-Espín, M. J. Hoffmann, S. Svelle, U. Olsbye, T. Bligaard, Catalysis Today, 312, 35-43, 2018
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


Lecture Jack D. Evans
On Friday June 8 at 10.30 am, Jack D. Evans will present his work on 'Computational and Experimental Investigations of the Negative Gas Adsorption Phenomenon' in lecture room Shingo, for which an abstract can be found below. Jack is a computational... more
Lecture by Alexandre TKATCHENKO
Prof. Alexandre TKATCHENKO will give a lecture entitled 'Bridging the accuracy of quantum mechanics with efficiency of machine learning in molecular modeling' in the framework of the New Horizons Lectures in Chemistry by Solvay Institutes. Friday... more