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

M. Nielsen, A. Hafreager, R. Brogaard, K. De Wispelaere, H. Falsig, P. Beato, V. Van Speybroeck, S. Svelle , Catalysis Science & Technology , 9 (14), 3721-3725 , 2019
P.Z. Moghadam, S.M.J. Rogge, A. Li, C.-M. Chow, J. Wieme, N. Moharrami, M. Aragones-Anglada, G. Conduit, D.A. Gomez-Gualdron, V. Van Speybroeck, D. Fairen-Jimenez , Matter , 1 (1), 219-234 , 2019
M.A.J. Mertens, A. Aerts, I. Infante, J. Neuhausen, S. Cottenier , Journal of Physical Chemistry Letters , 10 (11), 2879-2884 , 2019


CMM publication highlighted in Matter
Matter devoted one of its first previews to highlight our recently published article providing an interactive machine learning approach to predict the mechanical stability of metal-organic frameworks. The preview, written by prof. Randall Q.... more
Vacancies in the field of operando modeling of zeolite catalyzed reactions
The research group of Prof. Van Speybroeck, which is embedded within the multidisciplinary Center for Molecular Modeling, is looking for highly motivated and creative PhD candidates in the field of operando modeling of zeolite catalyzed reactions... more