Postdoc Position in DFT Modelling of hydrogen in steel
The TU Delft School of Mechanical and Materials Engineering

Job Title: Postdoc Position in  DFT Modelling of hydrogen in steel
Faculty: Faculty Mechanical and Materials Engineering
Working hours: 38.0 uur per week
Contract: 1 year
Salary: 3255 - 4274 euro per maand (volledige dagtaak)




Faculty Mechanical and Materials Engineering


The 3mE Faculty trains committed engineering students, PhD candidates and post-doctoral researchers in groundbreaking scientific research in the fields of mechanical, maritime and materials engineering. 3mE is the epitome of a dynamic, innovative faculty, with a European scope that contributes demonstrable economic and social benefits.


The department of Materials Science and Engineering of the faculty Mechanical, Maritime and Materials Engineering, aims to provide internationally recognised, high quality research of benefit to industry and society, addressing lifecycle, structure, properties and functionality from a physicochemical perspective. We also aim to furnish a top-level education in materials science and engineering. Focus areas within the department include metals processing, microstructure and property characterisation and prediction, surfaces and interface engineering, degradation, joining and mechanical behaviour. The department operates on a principal investigator model.


About us

During this one-year Post-Doc assignment, you will work within a large team (three staff and two Post-Docs) towards the deeper understanding of the effect of hydrogen embrittlement on steel. You will especially focus on using quantum and molecular dynamics (MD) simulations to determine the influence of hydrogen on mechanical properties of steel on the crystal and grain boundary level. It is expected that you have prior experience of performing Density Functional Theory (DFT) calculations. Your acquaintance with MD simulations is an added advantage. You will work very closely together with a second Post-Doc, whose responsibility will focus on using your findings to up-scale the results to the continuum and structural levels. Ultimately, this collaborative project will lead to an elaborate model for the hydrogen embrittlement mechanisms.

This position is primarily scientific in nature, but you will be expected to contribute to the creation of a large-scale follow-on project.



The applicant shall have a PhD degree in materials sciences, chemical engineering, process engineering, mechanical engineering or a similar engineering discipline. Excellent written and verbal communication skills in English are required, while the ability to communicate in Dutch is considered valuable.


TU Delft offers a customisable compensation package, a discount for health insurance and sport memberships, and a monthly work costs contribution. Flexible work schedules can be arranged. An International Children's Centre offers childcare and an international primary school. Dual Career Services offers support to accompanying partners. Salary and benefits are in accordance with the Collective Labour Agreement for Dutch Universities.



For more information about this position, please contact Poulumi Dey, Assistant Professor, phone: +31 (0)152783117, e-mail: To apply, please email a letter of motivation and an up-to-date CV, containing a couple of references to Hilma Bleeker, HR advisor, e-mail: All required documents should be combined to a single pdf file.
Applications should be submitted as soon as possible by email to Interviews are ongoing until the position is filled. When applying for this position, please refer to vacancy number 3mE19-15.

If you apply for this position please say you saw it on Engineeroxy


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