To gain insights on how hydrogen interacts with the material and leads to the observed changes in mechanical properties, atomistic simulations based on the Density Functional Theory (DFT) and Molecular Dynamics (MD) will be performed within this project. These simulation techniques provide the necessary insight into the hydrogen interaction with the underlying microstructural features of the material at the nanoscale. To this end, the adsorption energies of hydrogen on Fe-based metal surfaces will be computed using DFT (incl. effect of oxygen and moisture). MD simulations will be performed to model the diffusion of hydrogen atoms and their interaction with the microstructure.  

This position is primarily scientific in nature, but the Post-Doc is expected to contribute to the creation of a large-scale follow-on project. The project will be carried out in the research groups of Dr. Othon Moultos and Dr. Poulumi Dey. The two departments involved in this project are Materials Science and Engineering (MSE) and Process & Energy (P&E) of TU Delft.

We are interested in candidates with the following qualifications:

• A Ph.D. degree in Materials Science and Engineering, Physics, Chemistry or a similar engineering discipline.
• An expert in Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations.
• Experience in probing hydrogen interaction with material based on DFT.
• Experience in simulating diffusion and microstructural design based on MD.
• A strong track record in scientific research, as evident from publications in international peer-reviewed journals and conference participation.
• Ability to work in team, collaborate with PhD students, attitude to work with accuracy and being scientifically productive.
• Excellent written and verbal communication skills in English.
• Inventive and with independent attitude.

Fixed-term contract: 1 year.

Salary and benefits are in accordance with the Collective Labour Agreement for Dutch Universities. The TU Delft offers a customisable compensation package, discounts on health insurance, and a monthly work costs contribution. Flexible work schedules can be arranged.

For international applicants, TU Delft has the Coming to Delft Service. This service provides information for new international employees to help you prepare the relocation and to settle in the Netherlands. The Coming to Delft Service offers a Dual Career Programme for partners and they organise events to expand your (social) network.

Delft University of Technology

Delft University of Technology is built on strong foundations. As creators of the world-famous Dutch waterworks and pioneers in biotech, TU Delft is a top international university combining science, engineering and design. It delivers world class results in education, research and innovation to address challenges in the areas of energy, climate, mobility, health and digital society. For generations, our engineers have proven to be entrepreneurial problem-solvers, both in business and in a social context.

At TU Delft we embrace diversity as one of our core values and we actively engage to be a university where you feel at home and can flourish. We value different perspectives and qualities. We believe this makes our work more innovative, the TU Delft community more vibrant and the world more just. Together, we imagine, invent and create solutions using technology to have a positive impact on a global scale. That is why we invite you to apply. Your application will receive fair consideration.

Challenge. Change. Impact!

Faculty Mechanical Engineering

From chip to ship. From machine to human being. From idea to solution. Driven by a deep-rooted desire to understand our environment and discover its underlying mechanisms, research and education at the ME faculty focusses on fundamental understanding, design, production including application and product improvement, materials, processes and (mechanical) systems.

ME is a dynamic and innovative faculty with high-tech lab facilities and international reach. It’s a large faculty but also versatile, so we can often make unique connections by combining different disciplines. This is reflected in ME’s outstanding, state-of-the-art education, which trains students to become responsible and socially engaged engineers and scientists. We translate our knowledge and insights into solutions to societal issues, contributing to a sustainable society and to the development of prosperity and well-being. That is what unites us in pioneering research, inspiring education and (inter)national cooperation.

Click here to go to the website of the Faculty of Mechanical Engineering. Do you want to experience working at our faculty? These videos will introduce you to some of our researchers and their work.