PhD Position in Computational Modeling: Delft University of Technology (TU Delft) invites applications for a PhD position focused on the computational modeling and in silico design of molecular hydrogenation catalysts. This project aims to advance the understanding of catalyst durability and efficiency.
PhD Position in Computational Modeling and In Silico Design of Dynamic Hydrogenation Catalysis
Designation:
PhD Candidate
Research Area:
- Computational Chemistry
- Catalysis
- In Silico Design
- Molecular Hydrogenation
Location:
Delft University of Technology, Netherlands
Eligibility/Qualification:
- Master’s degree in theoretical or computational chemistry, physical chemistry, or a related discipline.
- Experience with quantum chemical calculations (DFT) and computational catalysis.
- Interest in automation, reaction network analysis, or data-driven catalyst design.
- Proficiency in programming and computational chemistry.
- Fluent in English with strong scientific presentation and writing skills.
- Ability to work in a team environment.
Description:
The PhD candidate will join the NWO VICI-funded project DYNACAT within the Inorganic Systems Engineering (ISE) group under the supervision of Prof. Dr. Evgeny Pidko. The research will involve developing high-throughput testing platforms, operando computational models, and automated in silico screening tools that consider catalyst dynamics and reactivity. The candidate will work closely with chemical engineers, organometallic chemists, and data scientists, utilizing advanced computational tools and supercomputer facilities.
How to Apply:
Interested candidates should submit the following documents via the online application portal by September 1, 2025:
- A one-page motivation letter tailored to this vacancy.
- A detailed CV.
- MSc thesis.
- List of grades.
- Contact information for at least two references (name + email).
Applications must be addressed to Prof. Evgeny Pidko.
Last Date to Apply:
September 1, 2025
This opportunity offers a dynamic and interdisciplinary environment aimed at addressing critical challenges in catalysis and reactivity, with prospects for significant scientific contributions.
