PhD in Hydrogen-Resistant Circular Steels (DFT/MLIP)

Delft University of Technology (TU Delft); Delft; On-site; EUR 38,000 - 49,000; Full time

Job summary

Delft University of Technology (TU Delft) invites applications for a PhD researcher to study hydrogen embrittlement in circular steels, collaborating with Tata Steel and multiple universities. The project CIRHY focuses on circular steels and hydrogen interaction, combining DFT and MLIP approaches within the M2i framework.

The successful candidate will work in Team Dey of the Computational Materials Science section, contributing to publications and multidisciplinary research in a 6-year program

Qualifications

• Master’s degree in a related discipline is required.
• Strong background in atomistic and molecular simulation techniques (DFT and MD).
• Good written and verbal English skills.
• Publications in international peer‑reviewed journals and conference participation are advantages.

Responsibilities

• Perform DFT calculations to model hydrogen embrittlement mechanisms.
• Develop a machine-learned interatomic potential for multi-component Fe alloys.
• Enable predictive MD simulations with near-DFT accuracy.
• Collaborate with TU Delft, Groningen, Eindhoven, Twente, KU Leuven and Tata Steel.
• Contribute to scientific publications and conference presentations within the project.

Skills

Atomistic simulations

MD simulations

English proficiency

Education

Master’s degree in Materials Science and Engineering / Physics / Chemistry

Tools

MLIP development

Job description

Delft University of Technology (TU Delft) invites applications for a PhD researcher to study hydrogen embrittlement in circular steels, collaborating with Tata Steel and multiple universities. The project CIRHY focuses on circular steels and hydrogen interaction, combining DFT and MLIP approaches within the M2i framework.

The successful candidate will work in Team Dey of the Computational Materials Science section, contributing to publications and multidisciplinary research in a 6-year program