Alumni

Former PhD students

Parsa Habibi, 2020-2025. Computational discovery of hydrogen storage materials. Now at ASML.
Dr. H. Mert Polat, 2019-2024. Molecular Simulations of Acid Gas Absorption into Aqueous Solvents. Now at Canon.
Dr. Ir. Máté Erdös, 2017-2022. Molecular simulation of nanoporous materials: Application to metal organic frameworks, zeolites, and cyclodextrins. Now at Itron.
Dr. Ir. Hirad Seyed Salehi, 2017-2022. Molecular simulation of Deep Eutectic Solvents. Now at ASML.
Dr. Noura Dawass, 2016-2021. Kirkwood-Buff integrals from molecular simulations. Now at TAMUQ.
Dr. Ir. Seyed Hossein Jamali, 2015-2020. Transport properties of fluids: Methodology and force field development using molecular dynamics simulations. Now at TATA STEEL.

Former MSc students

Nikolaos-Marinos Tzitzikopoulos, 2025 Parametric Optimization of an Active Magnetic Regenerator.
Anneke Guluma, 2025 A Quantum Mechanical Study of Lithium Titanium Oxide for Lithium Recovery. Now at Eneco.
Declan Wee Hong Xiang, 2024 - 2025 Evaluation of Machine-Learning Interatomic Potentials for Liquid Water Systems.
Jordi Vlak, 2024 - 2025 Modeling of a modular water electrolysis system. Now at Accuselect.
Menno Steverink, 2024 - 2025 Design of a food-grade carbon dioxide system for small-scale beer breweries. Now at Hoogheemraadschap van Rijnland.
Timman van Oeveren, 2024 Life cycle analysis of hydrogen liquefaction.
Dimitris Mintsis, 2024. Modeling of mass and heat transfer in modular alkaline electrolyzers. Now at Witteveen & Bos.
Debdutta Chatterjee, 2023 - 2024. Liquid Hydrogen Boil-off Modeling & Cryogenic Cold Integration for Fuel Cell Thermal Management in Aviation. Now doing her PhD in TU Delft.
Hugo van Leeuwen Use of green hydrogen and sustainable carburization to Fe3C for the direct reduction of iron ore pellets. Now at E.ON Drive Infrastructure.
Camiel Grevet, 2022-2023. Engineering Design of a Modular Hydrogen Production System. Now at JOA Air Solutions.
Vladimir Jelle Lagerweij, 2022-2023. Quantum to Transport: Modeling Transport Properties of Aqueous Potassium Hydroxide by Machine Learning Molecular Force Fields from Quantum Mechanics. Now doing his PhD with us!
Jose Antonio Gonzalez Morales, 2022-2023. Design of non-flow solid hydrogen storage for long-distance maritime applications. Now at NFT, Spain.
Casper van der Geest, 2022. Transport properties of acid gases in aqueous MDEA solutions. Now at Vrije Universiteit Amsterdam
Ke Xu, 2021-2022. Transport properties of hydrogen in aqueous electrolyte solutions at conditions relevant to underground hydrogen storage. Now at TP-Link, China.
Prateek Jain, 2021-2022. Computational exploration of chemical stability under oxidation for 2D boron-based compounds. Now at Solarix.
Jilles Langeveld, 2021. CO2 capture with deep eutectic solvents. Now at Magneto Systems.
Samadarshi Maity, 2020-2021 (Honors project with Chem. Eng.). Hydrogen and oxygen diffusivity in gas, liquid, and supercritical water. Now at Antonie.
Kunal Mavani, 2020-2021. Molecular dynamics simulations of Krytox oil - CO2 gas mixture. Now at Uday ECS LLP.
Tijin Hanno Geo Saji, 2020-2021. Ab initio simulations of materials for hydrogen storage. Now at Eindhoven University of Technology.
Benjamin Rosenbaum, 2020 (Internship project with WUR). Coarse-grained simulations of oleosomes.
Grevil Colaco, 2019-2020. A Monte Carlo simulation study on adsorption of nitrogen oxides in zeolites. Now at Stantec.
Sander Korver, 2019-2020. Machine learning and thermodynamic modeling for fingerprint analysis of gasoline used in arson. Now at ExxonMobil.
Daan Geerdink, 2019-2020. In silico screening of zeolites for high pressure hydrogen dehydration. Now at DNV.
Michail Frangou, 2019. Diffusivity of beta-cyclodextrin in aqueous solutions.
Eva Schouten, 2018-2019. Modeling the evaporation of gasoline mixtures Now at ISW Gasthuislaan.
Zsolt Csaszar, 2016-2017. Monte Carlo simulations of the phase equilibria of light/heavy hydrocarbon mixtures. Now at ASML.

Former Postdocs, Visiting Researchers, and Interns

Ioannis Makropoulos, 2025. Advanced end synchronization logic for Product variant change over, w/ P&G Services Company NV. Now MSc at TU Delft.
Nienke van Doorn, 2025. System integration tool – Developing machine learning algorithms to predict prices in electricity and balancing markets, w/ Ventolines. Now MSc at TU Delft.
Kyriakos Kokkinos, 2024. Technoeconomic analysis of proton exchange membrane electrolyser, w/ XINTC.
Dr. Fengyi Mi, 2023-2024 Study of mechanisms of gas hydrate formation in complex sediments at the molecular level. Now at Chinese University of Geosciences, China.
Dr. Sebastian Price, 2021 - 2023. Modeling the ultrasound mediated transport of nanoparticles in tissue. Now at PoreLab NTNU.
Dr. Thejas Hulikal Chakrapani, 2022-2024. Interfacial and thermophysical properties of mixtures relevant to subsurface hydrogen storage. Now at University of Edinburgh.
Timman van Oeveren, 2023. Design of a CO2 utilization system for carbonation in small breweries, w/ BrewRight. Now doing an MSc with us.
Dr. Bin Fang, 2022-2023. Molecular simulations of methane hydrates. Now at Chinese University of Geosciences, China.
Willemijn van Rooijen, 2022-2023. Interfacial and thermophysical properties of mixtures relevant to subsurface hydrogen storage. Now a PhD student at CiTG, TU Delft.
Laya Roustazadeh, 2021-2022. Adsoprtion of gas mixtures in Metal Organic Frameworks.
Dr. Ahmadreza Rahbari, 2020-2021. Molecular simulation of high pressure hydrogen mixtures. Now at XINTC Global, The Netherlands.
Dr. Abdelrahman Hussein, 2020-2021. Multi-scale modeling of hydrogen embrittlement. Now at Ghent University, Belgium.
Dr. Olav Galteland , 2020. Non Equilibrium Molecular Dynamics simulation of fluids in confinement. Now at Sintef, Norway.
Dr. Gagus Ketut Sunnardianto, 2019-2020. Ab initio simulations of hydrogen embrittlement. Now at BRIN-Q, Indonesia.
Dr. Alper Celebi, 2019-2021. Molecular simulation of ionic liquids and deep eutectic solvents. Now at TU Wien, Austria.
Prof. Keiichi Kuboyama, 2018. Molecular simulations of PMMA/nanoparticle composites. Now at Tokyo Institute of Technology, Japan.
Dr. Ilias Nikolaidis, 2018. Equation of state modeling of mixtures of asymetric hydrocarbons. Now at Filtercosmos, Greece.
Claire Spera, 2018. Mathematical modeling of the evaporation process of gasoline . Now at ALTEN, France.
Christos Bardas, 2017-2018. Computation of transport coefficients using molecular simulation. Now at Hitachi Construction Machinery.