Nanoporous Materials and Soft Matter
Adsorption and Diffusion in Nanoporous materials Ordered crystalline porous materials offer the potential for selective adsorption by exploiting differences in molecular configurations. Zeolites are readily
Computational Methods and Machine Learning
Molecular Visualization Visualization is a crucial tool for obtaining molecular level insight. Staring at the atomic positions in a CIF- or PDB-file for a long
Biomolecular Systems
Biomolecular changes are prevalent in all aspects of biology. Not only protein folding, but also association and dissociation processes, such as proteins binding to DNA,
Chemical Reactivity, Catalysis, and Molecular Modeling
The research focusses on applying advanced molecular simulation techniques to understand and predict properties of (nano-sized) materials and complex chemical systems.