PhD: Hydrogen-Resistant Circular Steels (Atomistic MD/DFT)

Delft University of Technology; Delft; On-site; EUR 36,000 - 45,000; Full time

Job summary

Delft University of Technology in the Netherlands invites applications for a PhD position titled Probing Hydrogen-Defect Interaction in Circular Steels via Atomistic Simulation. You will study hydrogen embrittlement mechanisms in circular steels using DFT and machine-learning interatomic potentials, in collaboration with Tata Steel and a broad academic partner network.

This four-year project, CIRHY, involves a full-time contract (38 hours/week).

Qualifications

• Master’s degree in a relevant field is required.
• Experience with atomistic simulations (DFT/MD) is essential.
• Interest in developing machine-learning interatomic potentials is valued.

Responsibilities

• Perform DFT calculations to model hydrogen-tramp element interactions at boundaries.
• Carry out DFT to understand dislocations interactions with hydrogen.
• Develop an MLIP for a multi-component Fe alloy for MD simulations.
• Collaborate with TU Delft, Groningen, Eindhoven, Twente, KU Leuven and Tata Steel.
• Contribute to publications and conferences within the CIRHY project.

Skills

DFT

MD simulations

MLIP development

English communication

Education

Master’s degree in Materials Science and Engineering, Physics, Chemistry or related

Tools

DFT software

MD software

ML workflow

Job description

Delft University of Technology in the Netherlands invites applications for a PhD position titled Probing Hydrogen-Defect Interaction in Circular Steels via Atomistic Simulation. You will study hydrogen embrittlement mechanisms in circular steels using DFT and machine-learning interatomic potentials, in collaboration with Tata Steel and a broad academic partner network.

This four-year project, CIRHY, involves a full-time contract (38 hours/week).