PhD students
Paula De Barros Barreto
Molecular simulation of carbon dioxide-rich mixtures adsorption onto nanoporous materials
Dual degree PhD (BR/NL). Promotors: Otto Moultos, Thijs Vlugt, Marcelo Castier, Luis Mercier Franco (Unicamp, Brazil)
Molecular modeling of PFAS removal with novel cyclodextrin-based adsorbents
Promotors: Otto Moultos, Thijs Vlugt
Artificial Intelligence to accelerate molecular simulations for design of PFAS absorbents
Machine learning and molecular modeling of aqueous electrolyte solutions
Promotors: Otto Moultos, Thijs Vlugt
MSc students
Development of a digital thread of a Liquid Hydrogen tank integrating Thermo-Structural analysis
Theodoros Benai
Molecular Simulation of Activated Carbons for PFAS capture
Tim Deutman
Integrating a Physically-Informed Digital Twin for Modular Alkaline Water Electrolysis
w/ XINTC
Alessia Bisconti
Study of the kinetic limitations in LMFP and LFP batteries using ICI and EIS
in collaboration with Paul Scherrer Institute, Switzerland
Arno Soetens
Generative data for training machine learning algorithms based on molecular simulations