Welcome to the Center for Molecular Modeling

The Center for Molecular Modeling is a multidisciplinary research center that is currently composed of about 35 researchers from the Faculties of Sciences (WE05) and Engineering and Architecture (EA17, EA10, EA20) of Ghent University.

The Center 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 and bio- and organic chemistry. Read more

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Latest news

General news
The Center for Molecular Modeling collaborated with the University College of London on a special-issue Chemical Society Review entitled "Advances in theory and their application within the field of zeolite chemistry". The review describes the... more
Vacancies
The CMM is participating in an EC-funded European Training Network called DEFNET, running from January 2015 until December 2018. This Marie Skłodowska-Curie H2020 scheme provides generous funding for an Early-Stage Researcher (ESR) with good... more
General news
The article entitled “Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics” has been accepted for publication in Chemistry – a European Journal. The manuscript was ranked top... more

ERC Grants


This project is inspired by the quest to design an optimal catalyst for a given process. Nowadays this is more an art than a science. The need for accurate rate constants is crucial to fulfil this task. Molecular modelling has become a ubiquitous tool in many fields of science and engineering, but still the calculation of reaction rates in nanoporous materials is hardly performed due to major methodological bottlenecks. more