Job for Researchers: PhD in Computational Catalyst Design — Wageningen University & Research

About the role

We are seeking a highly self-motivated PhD candidate to join the Computational Catalysis and Surface Chemistry team at Wageningen University & Research. The project focuses on atomic-level catalyst design and reaction mechanisms of CO₂ and CO hydrogenation processes. You will work at the interface of theory and experiment, employing density functional theory (DFT), ab initio molecular dynamics (AIMD), and machine-learning potential driven molecular dynamics to unravel structure–reactivity relationships in heterogeneous catalysis. The PhD position is embedded in a broader research consortium on green hydrogen and electrons for carbon-based chemistry, with close collaboration with experimental and industrial partners.

Your responsibilities

• Conduct computational research on reaction mechanisms and catalyst design for CO₂/CO hydrogenation.
• Collaborate with experimental and industrial catalysis partners within the consortium.
• Supervise thesis students and provide teaching assistance.
• Contribute to the Biobased Chemistry and Technology chair and the Computational Catalysis team led by Dr. Guanna Li.

Requirements

• Strong teamwork spirit and commitment to collaborative research.
• Excellent command of English (C1 level or equivalent); an internationally recognised certificate may be required.
• MSc degree in a relevant field (chemistry, chemical engineering, materials science, or related).

What we offer

• A fully funded PhD position (1.0 FTE, 38 hours per week).
• Gross salary: €3,059 per month in the first year, rising to €3,881 per month in the fourth year (scale P, CAO-NU).
• Temporary contract for 18 months, with extension for the project duration upon satisfactory performance.
• Excellent pension scheme and other benefits under the Collective Labour Agreement for Dutch Universities.
• A tailored course program to support your development and research goals.
• Work on the greenest and most innovative campus in the Netherlands, with an international and open working environment.
• Support for international employees: assistance with visa procedures, housing, bank accounts, dual career programs, and schooling through our Welcome Center.
• Certain international staff may be eligible for a partial tax exemption (30% ruling) for the first five years in the Netherlands.

How to apply

Apply via the vacancy page on the Wageningen University & Research website – only applications submitted through our portal will be considered. Please upload the following documents (max. 3 pages in total):

• A motivation letter (max. 3 pages combined with CV).
• A curriculum vitae.

Additional documents such as transcripts or grade lists are not required at this stage. Applications will be reviewed on an ongoing basis; the position remains open until a suitable candidate is selected (preferred deadline: 1 September 2026).

For more information about the position, contact Dr. Guanna Li (assistant professor). For procedural questions, contact Rutger Voorrips (corporate recruiter).

Our commitment to diversity and inclusion

Wageningen University & Research believes that diverse perspectives lead to innovative solutions. We strive to create a work environment where everyone feels welcome, safe, and valued, regardless of background, identity, or experience.

About Wageningen University & Research

Under the banner “To explore the potential of nature to improve the quality of life,” Wageningen University & Research combines the university and specialised research institutes to find solutions for healthy food and living environments. With approximately 30 branches, 7,600 employees (6,700 FTE), 13,100 students, and over 150,000 lifelong-learning participants, Wageningen is a leading organisation in life sciences.

Original vacancy