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Delft University of Technology

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PhD Position in Hydrogen-Defect Interaction in Circular Steels via Atomistic Simulation Delft University of Technology in Netherlands

Degree Level

PhD

Field of study

Chemistry

Funding

Doctoral employment for 4 years in principle, split into an initial 1.5-year contract and a subsequent 2.5-year contract subject to a go/no-go assessment and performance. Salary ranges from €3204 to €4051 gross per month over the four years for a full-time 38-hour contract, plus 8% holiday allowance and an 8.3% end-of-year bonus. TU Delft also offers a customizable compensation package, health insurance discounts, and a monthly work costs contribution.

Deadline

Oct 30, 2026

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Country

Netherlands

University

Delft University of Technology

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Keywords

Chemistry
Mechanical Engineering
Chemical Engineering
Materials Science
Molecular Dynamics
Density Functional Theory
Atomistic Simulation
Physics
Computational Materials Science

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About this position

PhD opening at Delft University of Technology (TU Delft) in the Computational Materials Science section, working on hydrogen embrittlement, circular steels, atomistic simulation, density functional theory (DFT), molecular dynamics (MD), and machine-learned interatomic potentials.

The project, CIRHY (Circularity as Opportunity: Engineering Hydrogen-Resistant Circular Steels), aims to develop next-generation recycled steels that can safely operate in hydrogen environments. The research focuses on atomic-scale mechanisms of hydrogen-defect interaction, including hydrogen-tramp element co-segregation, dislocations, grain boundaries, phase boundaries, and hydrogen diffusion/trapping in multi-component Fe alloys.

You will work in Team Dey and collaborate with researchers from TU Delft, the University of Groningen, Eindhoven University of Technology, University of Twente, KU Leuven, MPI for Sustainable Materials, and industrial partner Tata Steel. The project is embedded in the M2i framework and is funded by the Dutch national funding agency NWO.

Eligibility highlights: a Master’s degree in Materials Science and Engineering, Physics, Chemistry, or a closely related field; strong experience with DFT and MD; interest in developing ML interatomic potentials; strong academic record; excellent English communication skills. Publications and conference experience are a plus.

Funding and conditions: 4-year doctoral employment, with salary from €3204 to €4051 gross per month, plus holiday allowance and end-of-year bonus. TU Delft also provides health insurance discounts, a monthly work costs contribution, and relocation support.

Deadline: 30 October 2026. Expected start date is 18 January 2027, though earlier start may be possible depending on availability and immigration procedures.

How to apply: Submit the application online via AcademicTransfer. Upload a cover letter, CV, and any journal/conference publications. Applications by email or post will not be processed.

Funding details

Doctoral employment for 4 years in principle, split into an initial 1.5-year contract and a subsequent 2.5-year contract subject to a go/no-go assessment and performance. Salary ranges from €3204 to €4051 gross per month over the four years for a full-time 38-hour contract, plus 8% holiday allowance and an 8.3% end-of-year bonus. TU Delft also offers a customizable compensation package, health insurance discounts, and a monthly work costs contribution.

What's required

Applicants should hold a Master’s degree in Materials Science and Engineering, Physics, Chemistry, or a closely related discipline. Strong background and prior experience in atomistic and molecular simulation techniques, especially density functional theory (DFT) and molecular dynamics (MD), are required. Candidates should be keen to learn machine-learning interatomic potentials, have a strong academic track record, and possess excellent written and verbal English communication skills. Publications and conference experience are advantageous but not mandatory.

How to apply

Apply online via the AcademicTransfer application button by 30 October 2026. Upload a cover letter, CV, and copies of any journal or conference publications if available. Do not apply by email or post.

More information can be found here

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