Veronique Van Speybroeck

Research expertise

Veronique Van Speybroeck is an expert in modeling nanoporous materials for catalysis, adsorption, e.g., zeolites, Metal-Organic Frameworks (MOFs), Covalent Organic Frameworks (COFs); all applications are inspired and performed in close synergy with experimental groups.  The research is driven by the ambition to model as close as possible realistic materials/processes.  To this end, Van Speybroeck systematically pushed the limits of simulation methods. She is recipient of three ERC grants (ERC StG in 2010 and ERC CoG in 2015, ERC AdG in 2025), which were strong drivers for new method developments in the field of nanoporous materials.  With the ERC StG grant, new methods were developed to calculate accurate chemical kinetics for reactions taking place in nanoporous materials. With the ERC CoG grant, Van Speybroeck pioneered the simulation of complex catalytic conversions at operating conditions using enhanced molecular dynamics simulations capturing the full complexity of the free energy surface, as she became strongly convinced that simulations had to account for true operating conditions such as realistic temperatures, pressures, feeds.  Currently, she is exploring methods to simulate materials with inclusion of spatial heterogeneities, as the behavior of realistic materials may be strongly affected by crystal size, morphology, and presence of defects.  To this end, she is developing Machine Learning Potentials  that are parametrized on underlying quantum mechanical data and hold the promise to model systems having length scales up to 50 nm with quantum accuracy.

With the recently granted ERC Advanced grant, she has the ambition to fully unlock the time dimension as a powerful design parameter for next-generation nanoporous materials for catalysis, separation and sensing.

The applications are situated in the field of nanostructured materials for sustainable chemistry, nanosensing and clean energy.  Materials and applications encompass zeolites to convert non-fossil-based feedstocks like biomass, C1 molecules to useful building blocks for the chemical industry; stimuli-responsive MOFs that respond upon multiple triggers (mechanical, gas adsorption, and electric fields); metal halide perovskites with an optical function to efficiently utilize solar energy for chemical conversions or energy harvesting.

The research group of Van Speybroeck is embedded within the Center for Molecular Modeling (CMM, https://molmod.ugent.be) of Ghent University, which is a multidisciplinary research center grouping about 50 researchers with molecular modeling interests.  The research is performed with a multidisciplinary group of scientists, having backgrounds in physics, chemistry, (bio-)engineering, materials science.  Van Speybroeck strongly believes in collaborations among researchers across disciplines and strongly stimulates such open vision as she  believes this is key to achieve scientific excellence.

Keywords: nanoporous materials, molecular dynamics, chemical kinetics, heterogenous catalysis, zeolites, Metal-Organic Frameworks, operating conditions

Biography

Veronique Van Speybroeck is full professor at the Ghent University within the Faculty of Engineering and Architecture and head of the Center for Molecular Modeling, since October 2012. She also holds a position as Research Professor at the Ghent University since October 2007. She graduated as engineer in physics at the Ghent University in 1997 and obtained her Ph.D in 2001 on a subject dealing with theoretical simulations of chemical reactions with static and dynamical approaches under the supervision of Prof. M. Waroquier. After her PhD she received a postdoctoral fellowship from the National Fund for Scientific Research Flanders and had the possibility to travel to various foreign institutes for short periods.

She was co-founder in 2000 of the Center for Molecular Modeling (CMM), which is now composed of about 50 researchers and groups researchers from the faculties of Science and Engineering and Architecture with molecular modeling interests. The CMM aims to model molecules, materials and processes at the nanoscale by bringing together physicists, chemists, (bio-)engineers and stimulating collaborations across disciplines. This multidisciplinary collaborative mission is the DNA of the CMM and key to achieve scientific excellence in the field of molecular modeling. Since 2012, she is head of the CMM responsible for daily operation including organizational, logistics and personnel affairs.  

Veronique Van Speybroeck has a record of significant contributions in the field of modeling nanoporous materials for catalysis, adsorption, e.g. zeolites, Metal-Organic Frameworks, Covalent Organic Frameworks; all applications are inspired and performed in close synergy with experimental groups. Within the CMM, Van Speybroeck is leading a team consisting of ca 5 postdoctoral researchers, 13 PhD students and 5-10 Master students (on a yearly basis).  She is recipient of three ERC grants (ERC StG in 2010 and ERC CoG in 2015, ERC AdG in 2025), which were strong drivers for new method developments in the field of nanoporous materials.  She has built a very strong network of international collaborations and served in various institutional and international advisory boards. 

In 2012, Van Speybroeck was elected as full member of the Royal (Flemish) Academy for Science and the Arts of Belgium (KVAB, www.kvab.be). Furthermore she participates in various activities to enhance the impact of science on society. From 2012-2017, she was member of the STEM-platform which was installed by the Flemish government to promote Science, Technology, Engineering and Mathematics training and careers.