Postdoc in Computational Modeling for Advanced Nuclear Materials (x/f/m)

A postdoc position is available in the Autonomous Energy Materials Discovery (AMD), a computational research group within the Chemical Energy Department at DIFFER. AMD focuses on developing and utilizing automated virtual materials discovery frameworks, driven by high-throughput classical and quantum calculations, artificial intelligence techniques, and advanced data infrastructures, to accelerate the discovery of materials and molecules for energy applications.

This position is part of the ASTRA-SIM project, a collaboration between DIFFER and Thorizon BV to develop advanced computational tools for optimizing materials in Molten Salt Reactors (MSRs). The ASTRA-SIM project aims to enhance the safety and efficiency of MSRs by developing advanced machine-learning force fields (MLFFs) and applying them to simulate the behavior of structural materials in extreme environments. The postdoc will focus on integrating computational modeling with experimental insights to predict material performance and enable innovations in nuclear reactor design.

RESPONSIBILITIES

1. Develop and refine MLFFs for simulating material behavior at atomic scales under MSR conditions.
2. Conduct density functional theory (DFT) calculations to enrich training datasets.
3. Perform simulations of structural materials exposed to high-temperature and corrosive environments.
4. Analyze simulation data in conjunction with experimental results from DIFFER’s DICE facility and related projects.
5. Collaborate with experimentalists and Thorizon BV researchers to validate models.
6. Supervise relevant projects of junior researchers, with no course teaching duties.
7. Disseminate findings through publications and presentations.

REQUIREMENTS

1. PhD in Computational Materials Science, Physics, Chemistry, or related field.
2. Proven expertise in applying ML and DFT for investigating condensed matter materials.
3. Good programming skills, particularly in Python.
4. Familiarity with (nuclear) material simulations under high-temperature and corrosive conditions is a plus.
5. Good communication skills and a collaborative mindset.
6. Excellent written and verbal communication skills in English. 

This position is full-time (1.0 FTE), will be for a period of 2 years, and is graded in pay scale 10. The position will be based at DIFFER (www.differ.nl) and the working location will be at TU Eindhoven. When fulfilling a position at DIFFER, you will have an employee status at NWO. You can participate in all the employee benefits NWO offers. We have a number of regulations that support employees in finding a good work-life balance. At DIFFER we believe that a workforce diverse in gender, age and cultural background is key to performing excellent research. We therefore strongly encourage everyone to apply. More information on working at NWO can be found at the NWO website (https://www.nwo-i.nl/en/working-at-nwo-i/jobsatnwoi/)

Dutch Institute for Fundamental Energy Research

The Dutch Institute for Fundamental Energy Research (DIFFER) performs leading fundamental research on materials, processes, and systems for a global sustainable energy infrastructure. We work in close partnership with (inter)national academia and industry. Our user facilities are open to industry and university researchers. As an institute of the Dutch Research Council (NWO) DIFFER plays a key role in fundamental research for the energy transition.

We use a multidisciplinary approach applicable on two key areas, chemical energy for the conversion and storage of renewable energy and nuclear fusion – as a clean source of energy.

For further information about the position please contact: Dr. Süleyman Er, s.er@differ.nl