Group Members

PhD student in the group of Prof. Bernd Ensing, working on machine learning approaches to explore structure–property relationships in nitrogen reduction catalysis.

PhD student in the group of Prof. Bernd Ensing working on AI-accelerated modeling of the electrode-electrolyte interface

PhD student in the group of Dr. Jocelyne Vreede working on new materials based on light-driven molecular motors and DNA

PhD student working with Prof. B. Ensing on generative AI for inverse design of molecules and materials

PhD student working with Prof. P. Bolhuis on probing ultra-fast processes and correlations in nanoelectrochemistry: bridging time scales with path sampling.”

“PhD student working with Dr. Jocelyne Vreede on modelling the effect of temperature and ligand binding on nucleic acid conformations”

PhD student with Dr. Jocelyne Vreede, developing qualitative and quantitative predictions of how mechanical deformation affects the conformations and physicochemical properties of modified nucleic acids

Leontti is a PhD student working on the modeling of polymer films using random graphs, molecular simulations and machine learning

Working on predicting nanoplastic impact on protein function in the group of Dr. Alberto Pérez de Alba Ortíz.

Working on design of molecules and soft materials in the group of Dr. Alberto Pérez de Alba Ortíz

PhD student working with Prof. Peter Bolhuis on combining path sampling and machine learning to study rare events and complex molecular processes across long timescales.

PhD student working with Dr. David Dubbeldam on developing RASPA3 for computing adsorption and diffusion behaviour of molecules in porous materials

PhD student in the group of dr. Bernd Ensing working on machine learning solutions for CO2 reduction catalysts.

PhD student in the group of dr. Ioana Ilie studying nanoparticles for non-invasive therapeutics.

PhD student in the group of prof. E.J. Meijer and prof. P.G. Bolhuis.

PhD student in the groups of dr. J. Vreede in Computational Chemistry and prof. dr. Stanley Brul in Molecular Biology & Microbial Food Safety.

PhD student in the group of prof. E.J. Meijer working on catalysis.

PhD researcher working with prof. Evert Jan Meijer.

PhD student in the group of dr. Bernd Ensing working on soft advanced matter.