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University of Amsterdam

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PhD in Multiscale Modeling of Smart Self-Sealing Materials University of Amsterdam in Netherlands

Degree Level

PhD

Field of study

Computer Science

Funding

PhD employment contract for 38 hours per week, initially 18 months and extendable to a total of 4 years after satisfactory evaluation. Gross monthly salary ranges from €3,204 in the first year to €4,051 in the last year, plus 8% holiday allowance and 8.3% year-end bonus. The post also mentions pension contributions, vacation hours, and possible 30% ruling for non-Dutch applicants.

Deadline

Oct 15, 2026

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Country

Netherlands

University

University of Amsterdam

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Keywords

Computer Science
Chemistry
Chemical Engineering
Materials Science
Biology
Molecular Dynamics
Multiscale Modeling
Metal-organic Framework
Surrogate Modeling
Atomistic Simulation
Physics
ML

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About this position

PhD opportunity at the University of Amsterdam in multiscale modeling of smart self-sealing materials, with a strong focus on molecular simulations, materials chemistry, peptide self-assembly, and machine learning. The project studies responsive MOF-peptide coatings for adaptive surface functionalization and aims to derive design rules that connect molecular-level chemistry and physics to material performance.

You will lead the computational and theoretical track of an interdisciplinary project on breathable, self-sealing coatings. The work combines coarse-grained and atomistic simulations, surrogate models, and experimental insights to understand peptide-coated MOFs, including breathability, aggregation, and chemical reactions. The simulations will be closely integrated with experimental work led by Dr. Bettina Baumgartner, with collaboration across UvA, TNO, and On2Quest.

The position is based in the Multiscale Simulation of Biomolecular Systems group of Dr. Ioana M. Ilie, within the Computational Chemistry group and the Van 't Hoff Institute for Molecular Sciences (HIMS), Faculty of Science. The environment is highly interdisciplinary and collaborative, with opportunities to publish, present, co-supervise BSc/MSc students, contribute to teaching, and attend conferences and international meetings.

Eligibility highlights include a Master’s degree (or equivalent) in chemistry, physics, computational science, biochemistry, physical chemistry, or a closely related field; experience with molecular simulation and/or machine learning; excellent programming skills in C and/or Python; and strong English and Dutch communication skills. The role is a 4-year PhD employment contract (initial 18 months, then extension after evaluation), with a gross monthly salary of €3,204 to €4,051 plus holiday allowance and year-end bonus.

Deadline: 15 October 2026. Apply through the vacancy page with a motivation letter, CV, and at least one academic reference. Applications are reviewed on a rolling basis until the position is filled.

Funding details

PhD employment contract for 38 hours per week, initially 18 months and extendable to a total of 4 years after satisfactory evaluation. Gross monthly salary ranges from €3,204 in the first year to €4,051 in the last year, plus 8% holiday allowance and 8.3% year-end bonus. The post also mentions pension contributions, vacation hours, and possible 30% ruling for non-Dutch applicants.

What's required

Master’s degree or equivalent in chemistry, physics, computational science, biochemistry, physical chemistry or a closely related field. Demonstrated experience with molecular simulations (coarse-grained and atomistic) and/or machine learning techniques such as VAE, UMAP, or surrogate models. Strong programming skills in C and/or Python, careful and reproducible working style, ability to analyse complex data and connect simulations with experiments, excellent oral and written English and Dutch, strong initiative, time management, and willingness to collaborate with students, PhDs, postdocs, and external partners.

How to apply

Apply via the red button on the vacancy page by 15 October 2026. Submit a motivation letter, CV with months listed for education and work experience plus publications, and contact details of at least one academic reference. Applications are reviewed on a rolling basis until the position is filled.

More information can be found here

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