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.
• 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 liquifaction.
• 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.