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Technical University of Denmark

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PhD scholarship

PhD scholarship in Atomistic Stabilization in Solid Oxide Electrolysis Cells (DTU Physics) Technical University of Denmark in Denmark

Degree Level

PhD

Field of study

Computer Science

Funding

PhD scholarship funded by the Independent Research Fund Denmark (DFF) for a 3-year appointment at DTU Physics. Salary and appointment terms follow the collective agreement with the Danish Confederation of Professional Associations.

Deadline

Nov 30, 2026

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Country

Denmark

University

Technical University of Denmark

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Keywords

Computer Science
Chemistry
Environmental Science
Chemical Engineering
Materials Science
Catalysis
Electrochemistry
Computational Chemistry
Density Functional Theory
Atomistic Simulation
Physics
ML

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About this position

DTU Physics is advertising a PhD scholarship in Atomistic Stabilization in Solid Oxide Electrolysis Cells (ATOMIZE) in Kgs. Lyngby, Denmark. The project is a collaboration between Technical University of Denmark (DTU) and Topsoe, funded by the Independent Research Fund Denmark (DFF).

The research focuses on atomistic simulations, density functional theory (DFT), and machine-learning interatomic potentials to understand why solid oxide electrolysis cells (SOEC) degrade and how electrode stability can be improved for green hydrogen production. The successful candidate will validate simulations against advanced experimental characterization data and work at the interface of physics, chemistry, materials science, chemical engineering, and electrochemistry.

The student will join the Computational Catalysis group led by Associate Professor Alexander Bagger within the Catalysis Theory Center (CatTheory). The group works on predictive models and new reactions/materials, with access to DTU computational infrastructure including the Niflheim supercomputer.

Eligibility highlights include an MSc in physics, chemistry, chemical engineering, materials science, or a related field; experience with atomistic simulations and DFT tools such as GPAW, VASP, or ASE; strong Python skills; and preferably experience with MACE, NequIP, solid oxide cells, oxide materials, catalysis, HPC, and Linux. Strong English communication and the ability to work independently and in international, cross-disciplinary teams are emphasized.

The appointment is for 3 years and starts from 1 February 2027 or by mutual agreement. The application deadline is 30 November 2026 (23:59 Danish time). Applicants must submit one PDF online containing a cover letter, CV, and transcripts plus BSc/MSc diploma in English. You may apply before receiving the master’s degree, but you cannot start before it is awarded.

Funding details

PhD scholarship funded by the Independent Research Fund Denmark (DFF) for a 3-year appointment at DTU Physics. Salary and appointment terms follow the collective agreement with the Danish Confederation of Professional Associations.

What's required

Applicants must have an MSc in physics, chemistry, chemical engineering, materials science or a related area. Required experience includes atomistic simulations and density functional theory (e.g. GPAW, VASP, ASE) and Python programming. Preferred qualifications include experience with machine-learning interatomic potentials (e.g. MACE, NequIP or similar), knowledge of solid oxide cells, oxide materials, electrochemistry or catalysis, and experience with high-performance computing and Linux environments. Strong written and spoken English, good communication skills, independence, innovation, and ability to work in cross-disciplinary and international teams are expected.

How to apply

Apply online via the 'Apply now' link and submit one PDF file with a cover letter, CV, and grade transcripts plus BSc/MSc diploma in English. Applications must be submitted by the deadline; late applications will not be considered.

More information can be found here

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