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

S. Vandenbrande, T. Verstraelen, J. J. Gutierrez-Sevillano, M. Waroquier, V. Van Speybroeck, Journal of Physical Chemistry C, 121 (45), 25309-25322, 2017
P. Claeys, J.-S. Caux, D. Van Neck, S. De Baerdemacker, Physical Review B, 96, 155149, 2017
P. Claeys, D. Van Neck, S. De Baerdemacker, Scipost Physics, 3, 028, 2017

News

How stable are metal-organic frameworks? New publication in Accounts of Chemical Research provides a theoretical guidance to reliably model their mechanical rigidity
In recent years, the Center for Molecular Modeling has spearheaded the development of a computational protocol to reliably model the mechanical stability of soft materials such as metal-organic frameworks. The result of this effort recently... more
CMM researchers author a chapter in Elsevier book “Modelling and Simulation in the Science of Micro- and Meso-Porous Materials”
“Modelling and Simulation in the Science of Micro- and Meso-Porous Materials” was edited by Richard Catlow, Veronique Van Speybroeck and Rutger van Santen and covers cutting-edge topics in the fascinating field of micro- and meso-porous science... more