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

Computational Modeling of the Mobility, Stability and Al Positioning Ability of Cyclic Cationic Organic Structure-Directing Agents in AEI Zeolite
P. Ferri, P. Cnudde, M. Moliner, V. Van Speybroeck, M. Boronat , JACS Au (Journal of the American Chemical Society) , , 2025
Transforming 2D Imine into 3D Thiazole Covalent Organic Frameworks by Conjugated Connectors: Fully Conjugated Photocatalysts
M. Deng, J. Chakraborty, G. Wang, K. S. Rawat, L. Bourda, J. Sun, I. Nath, Y. Ji, P. Geiregat, V. Van Speybroeck, X. Feng, P. Van der Voort , JACS (Journal of the American Chemical Society) , , 2025

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News

Visit Romy Ettlinger
On February 26, dr. Romy Ettlinger – junior group leader at the Technical University of Munich – visited the Center for Molecular Modeling. Aside from the inspiring discussions we had, she also gave a lecture entitled “Resource Recovery and the... more
Visit Laura Gagliardi
On Friday February 21, we had the honor to welcome prof. Laura Gagliardi from the University of Chicago, in the frame of her Syensqo Chair in Chemistry by the International Solvay Insitututes. Aside from the inspiring discussions we had, she also... more

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Open vacancies

ERC-funded postdoc position on the atomistic modelling of anisotropic stresses on functional materials
  The Rogge group, embedded within the multidisciplinary Center for Molecular Modeling (molmod.ugent.be) at Ghent University, Belgium, is looking for a highly motivated postdoctoral researcher to perform state-of-the-art computational... more
FWO-funded Ph.D. positions on modelling amorphous zeolitic imidazolate frameworks using in silico nuclear magnetic resonance spectroscopy
  The Rogge group, embedded within the multidisciplinary Center for Molecular Modeling (molmod.ugent.be) at Ghent University, Belgium, is looking for two highly motivated Ph.D. researchers to perform state-of-the-art computational... more
Vacancy for a PhD student: Development of molecular dynamics simulations with explicit-electron models
In the frame of a recently approved research project “Groundbreaking models for spectroscopy and charge transport in molecular dynamics simulations” by the principal investigators Prof. Dr. Ir. Toon Verstraelen and Dr. Jelle Vekeman, a Ph.D.... more

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