You will join a highly interdisciplinary project at the interface of simulations and theory of porous materials, peptide self-assembly and adaptive materials. You will have access to state of the art computational facilities at Amsterdam Science Park, work side by side with an experimental PhD candidate, and gain experience through collaboration with TNO and On2Quest.

You will become part of a supportive and collaborative research group (the ILIE group is embedded in the Computational Chemistry group) where curiosity and creativity are highly valued. As your supervisor, I will offer regular individual meetings and an open-door policy to ensure you have guidance when needed and space to grow independently.

We value personal development: you will receive training in advanced computational techniques, machine learning, data analysis and scientific communication. You’ll have the opportunity to attend conferences, contribute to publications, and co-supervise Bachelor’s and Master’s students—building both your research and mentoring skills.

A temporary contract for 38 hours per week for the duration of 4 years (the initial contract will be for a period of 18 months and after satisfactory evaluation it will be extended for a total duration of 4 years). The preferred starting date is the end of 2026. This should lead to a dissertation (PhD thesis). We will draft an educational plan that includes attendance of courses and (international) meetings. We also expect you to assist in teaching undergraduates and master students.

You will join the Multiscale Simulation of Biomolecular Systems group of dr. ir. Ioana M. ILIE, part of the Computational Chemistry research group within the Van 't Hoff Institute for Molecular Sciences (HIMS) at the University of Amsterdam. Our research focuses on the development and application of advanced molecular simulation and multiscale modelling methodology to obtain novel and improved understanding of the behaviour of (bio)materials, and of complex (bio)chemical and physical processes that are of technological and scientific importance.

The computational work will be closely integrated with the experimenta research led by Dr. Bettina Baumgartner. The two PhD candidates will work across the work packages in parallel so that experiments and computational simulations continuously inform each other. Part of the project includes research visits or secondments to TNO for specialised validation under certified safety conditions.

The team is young, interdisciplinary, and collaborative. You will work alongside PhD candidates, postdocs, and students in a supportive environment where scientific curiosity is actively encouraged. We value open discussions, shared progress, and celebrating scientific achievements—whether they come from careful experimentation or creative thinking over coffee.

Our goal is to train well-rounded researchers who can independently design, carry out, and reflect on experiments.

The Van 't Hoff Institute for Molecular Sciences (HIMS) is one of eight institutes of the University of Amsterdam (UvA) Faculty of Science. HIMS performs internationally recognized chemistry and molecular research, curiosity driven as well as application driven. This is done in close cooperation with the chemical, flavor & food, medical and high-tech industries. Research is organized into four themes: Analytical Chemistry, Computational Chemistry, Synthesis & Catalysis and Molecular Photonics.

The Faculty of Science has a student body of around 8,000, as well as 1,800 members of staff working in education, research or support services. Researchers and students at the Faculty of Science are fascinated by every aspect of how the world works, be it elementary particles, the birth of the universe or the functioning of the brain.