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
Giovanni Angelucci
3D blade design for radial inflow turbines
in collaboration with EPFL, Laboratory for Applied Mechanical Design (LAMD), Switzerland
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
Visiting students
Kainai Dilare
Hydrate growth in micropores
Visiting PhD student from China University of Geosciences (Wuhan), China
Pamella Cristiny Carneiro da Silva
Transport properties of proteins in ionic liquids
Visiting PhD student from Unicamp, Brazil. Supervisor: Leandro Martínez
Interns
- Alex Collet Development of Equations of State from Machine Learning Potentials, w/ Prof. Erich A. Müller, Imperial College London.