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

I. Yarulina, K. De Wispelaere, S. Bailleul, J. Goetze, M. Radersma, E. Abou-Hamad, I. Vollmer, M. Goesten, B. Mezari, E.J.M. Hensen, J. S. Martínez-Espín, M. Morten, S. Mitchell, J. Perez-Ramirez, U. Olsbye, B.M. Weckhuysen, V. Van Speybroeck, F. Kapteijn, J. Gascon, Nature Chemistry, 10 (8), 804-812, 2018
O. De Vos, R.M. Venable, T. Van Hecke, G. Hummer, R.W. Pastor, A. Ghysels, Journal of Chemical Theory and Computation (JCTC), 14 (7), 3811-3824, 2018
K. De Wispelaere, J. S. Martínez-Espín, M. J. Hoffmann, S. Svelle, U. Olsbye, T. Bligaard, Catalysis Today, 312, 35-43, 2018

News

Researchers design a super catalyst to produce plastics and fuels without crude oil
Ghent University researchers used computer simulations to discover a new material that efficiently converts methanol into building blocks for fuels and plastics. This conversion has the potential to replace traditional petrochemical processes based... more
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