Join us at TU Delft! We’re hiring a PhD to study in silico life and death of molecular hydrogenation catalysts. Start: 2025-2026. #PhD #Catalysis
Job description
We are looking for a motivated PhD candidate with a strong background in chemistry and a keen interest in computational chemistry and catalysis to join the NWO VICI-funded project DYNACAT in the ISE group by prof. dr. Evgeny Pidko, which aims to uncover new principles for improving the durability and efficiency of earth-abundant molecular hydrogenation catalysts. In this position, you will develop a next-generation high-throughput testing platform to combine and automate kinetic and spectroscopic analysis of catalytic reactions under realistic conditions. The position will contribute to the development of operando computational models and automated in silico screening tools that account for catalyst dynamics, deactivation pathways, and condition-dependent reactivity. The candidate will work with advanced quantum chemical methods and/or machine learning techniques to understand catalyst stability and reactivity, explore reaction networks, and construct computational workflows to guide the design of new catalytic systems.
We offer
- A highly interdisciplinary and collaborative research environment
- Access to cutting edge computational tools and supercomputer facilities
- Opportunities to shape and lead the development of new theories in catalysis and reactivity
- An inclusive and dynamic group with strong international and cross-disciplinary connections
This position is part of the Inorganic Systems Engineering (ISE) group at TU Delft, a vibrant and diverse team working on frontier problems in molecular and heterogeneous catalysis through close integration of computation, spectroscopy, and theory. The positions are expected to start in the period October 2025 – 2026
Job requirements
We seek a candidate who:
- Holds a MSc degree in theoretical or computational chemistry, physical chemistry, or related discipline.
- Has experience with quantum chemical calculations (e.g. DFT) and computational catalysis.
- Is interested in automation, reaction network analysis, or data-driven catalyst design.
- Is enthusiastic about chemistry, reaction mechanisms, and motivated by fundamental scientific questions.
- Is skilled in computational chemistry, physical chemistry and programming.
- Is fluent in English and has good scientific presentation and writing skills.
- Open to working in a team, hand in hand with chemical engineers, organometallic chemists, and data scientists.
TU Delft (Delft University of Technology)
Delft University of Technology is built on strong foundations. As creators of the world-famous Dutch waterworks and pioneers in biotech, TU Delft is a top international university combining science, engineering and design. It delivers world class results in education, research and innovation to address challenges in the areas of energy, climate, mobility, health and digital society. For generations, our engineers have proven to be entrepreneurial problem-solvers, both in business and in a social context.
At TU Delft we embrace diversity as one of our core values and we actively engage to be a university where you feel at home and can flourish. We value different perspectives and qualities. We believe this makes our work more innovative, the TU Delft community more vibrant and the world more just. Together, we imagine, invent and create solutions using technology to have a positive impact on a global scale. That is why we invite you to apply. Your application will receive fair consideration.
Challenge. Change. Impact!
For more information and to apply visit https://careers.tudelft.nl/job/Delft-PhD-Position-Computational-Modeling-and-In-Silico-Design-of-Dynamic-Hydrogenation-Catalysis-2628-CD/824314602/
