PhD Scholarship in Atomistic Stabilization in Solid Oxide Electrolysis Cells at Technical University of Denmark (DTU)

About the opportunity

Are you passionate about using atomistic simulations and machine learning to accelerate the green transition? The Technical University of Denmark (DTU) is seeking a highly motivated PhD student for the project ATOMIZE: Atomistic Stabilization in Solid Oxide Electrolysis Cells, a collaboration between DTU Physics and Topsoe, funded by the Independent Research Fund Denmark (DFF). Solid Oxide Electrolysis Cells are among the most efficient technologies for producing green hydrogen, but their long-term stability remains a key challenge. In this project, you will use density functional theory and state-of-the-art machine-learning interatomic potentials to study electrode materials at the atomic scale and validate simulations against advanced experimental data. You will be hired at DTU Physics in the Computational Catalysis group led by Associate Professor Alexander Bagger, with access to the Niflheim supercomputer.

Salary and benefits

• Employment for a period of 3 years as a PhD student based on the collective agreement with the Danish Confederation of Professional Associations
• Competitive salary according to DTU's salary structure for scientific staff
• Access to strong infrastructure and computational facilities including the Niflheim supercomputer with GPU nodes
• Participation in an international research environment at a leading technical university

Who can apply?

• Hold an MSc degree in physics, chemistry, chemical engineering, materials science, or related areas (applicants may apply prior to obtaining their master's degree but cannot begin before receiving it)
• Strong interest in atomistic modelling and machine learning for sustainable energy solutions
• Good communication skills in English, both written and spoken
• Ability to work independently and in cross-disciplinary teams, as well as with international academic collaborators and industrial partners
• Documented experience with atomistic simulations and density functional theory (e.g., GPAW, VASP, ASE)
• Demonstrated Python programming skills
• Preferred qualifications include experience with machine-learning interatomic potentials (e.g., MACE, NequIP), knowledge of solid oxide cells, oxide materials, electrochemistry, or catalysis, and experience with high-performance computing and Linux environments

Required documents

• A letter motivating the application (cover letter, maximum 1 page)
• Curriculum vitae (maximum 2 pages)
• Grade transcripts and BSc/MSc diploma in English including official description of grading scale
• Combined single PDF file containing all required application materials

When to apply

• Date posted: 2026-10-21
• Application deadline: 30 November 2026 at 23:59 Danish time
• Starting date: 1 February 2027 or according to mutual agreement

How to apply

• Prepare all required application documents in English and combine them into a single PDF file
• Open the official application link on the Oracle Recruiting Cloud platform
• Fill out the online application form
• Upload the single PDF containing your cover letter, CV, transcripts, and diplomas before the deadline

Additional information

• The PhD scholarship is subject to academic approval, and successful candidates will be enrolled in one of DTU's general PhD degree programmes.
• As DTU works with research in critical technology subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates.