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.

Welcome to the Center for Molecular Modeling

New A1-publications

S. De Waele, K. Lejaeghere, E. Leunis, L. Duprez, S. Cottenier, Journal of Alloys and Compounds, 775, 758-768, 2019
S. Vandenbrande, M. Waroquier, V. Van Speybroeck, T. Verstraelen, Journal of Chemical Theory and Computation, 14 (12), 6359–6369, 2018
J. Wieme, K. Lejaeghere, G. Kresse, V. Van Speybroeck, Nature Communications, 9, 4899, 2018


An Albert J. Moscowitz Memorial Lecture by speaker Prof. Veronique Van Speybroeck
On Feb 5th, 2019, Prof. Van Speybroeck gave an Albert J. Moscowitz Memorial Lecture at the University of Minnesota about unraveling complex chemical and physical transformations in nanoporous materials at operating conditions. The Albert J... more
Several PhD / postdoc positions available in the field of zeolite catalysis
Within the framework of various large-scale research projects such as an ERC Consolidator Grant (DYNPOR) entitled “First principle molecular dynamics simulations for complex chemical transformations in nanoporous materials” and several FWO... more