PhD in Atomistic Stabilization in Solid Oxide Electrolysis Cells

Technical University of Denmark; Kongens Lyngby; On-site; DKK 380,000 - 430,000; Full time

Job summary

Technical University of Denmark (DTU) invites applications for a PhD scholarship in the Physics research area. The successful candidate will work on atomistic simulations, DFT, and machine-learning interatomic potentials, contributing to electrochemistry and catalysis studies in solid oxide materials.

The position is based at DTU Physics in Denmark, offering an international research environment and opportunities for collaboration across DTU campuses.

Qualifications

• Atomistic modelling and DFT experience
• Python programming experience
• Machine learning experience
• Knowledge of materials science, electrochemistry or catalysis
• Communication skills

Responsibilities

• Conduct atomistic modelling and DFT studies for materials of interest.
• Develop and optimize Python workflows for simulations and data analysis.
• Collaborate with DTU Physics researchers in an international environment.
• Assist in dissemination of results through reports and talks.

Skills

Python programming

DFT experience

Machine learning

Materials science

HPC / Linux

Communication skills

Tools

GPAW

VASP

ASE

MACE

NequIP

Job description

Experience and Qualifications

• Experience with atomistic simulations & density functional theory (e.g. GPAW, VASP, ASE) Python programming skills
• Preferably, experience with machine-learning interatomic potentials (e.g. MACE, NequIP, or similar)
• Preferably, knowledge of solid oxide cells, oxide materials, electrochemistry or catalysis
• Preferably, experience with high-performance computing and Linux environments

Approval and Enrolment

The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see DTU's rules for the PhD education.

Assessment

You will be assessed against the responsibilities and qualifications stated above and the following general criteria:

• Atomistic modelling and DFT experience
• Python programming experience
• Machine learning experience
• Knowledge of materials science, electrochemistry or catalysis
• Communication skills

We offer DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Salary and Appointment Terms

The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. Please see DTU's salary structure for scientific staff: www.inside.dtu.dk/en/human-resources/during-employment/salary/salary-structures. The period of employment is 3 years. The starting date is from 1 February 2027 or according to mutual agreement. You can read more about career paths at DTU here.

Further Information

Further information may be obtained from Associate Professor Alexander Bagger ([e-mail]). You can read more about DTU Physics at https://physics.dtu.dk/. If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU - Moving to Denmark. Furthermore, you have the option of joining our monthly free seminar "PhD relocation to Denmark and startup "Zoom" seminar" for all questions regarding the practical matters of moving to Denmark and working as a PhD at DTU.

All interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. As DTU works with research in critical technology, which is subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates for the position.

DTU - For the benefit of society since 1829 DTU is one of Europe's leading elite technical universities. Through research and education at an international top level, we create solutions to the major societal challenges of our time and help secure Europe's global leadership in sustainable technological development. Since Hans Christian Ørsted founded DTU almost 200 years ago, our mission has remained the same: We develop and create value through the natural and technical sciences for the benefit of society. DTU has 13,800 students, 1,600 PhD students, and 6,500 employees. We work in an international environment and have an inclusive, stimulating, and informal work culture. DTU has campuses in all parts of Denmark and in Greenland and collaborates with the best universities around the world.