PhD fellowship in Theoretical Catalysis

PhD fellowship in Theoretical Catalysis
PhD Project in Simulations
Department of Chemistry
Faculty of SCIENCE
University of Copenhagen

Department of Chemistry invites applicants for two PhD fellowships in Theoretical Catalysis. The projects are rooted in the Theory group which is part of Center for High Entropy Alloy Catalysis (CHEAC) funded by Danish National Research Foundation, and the ERC Synergy project DEMI funded by European Research Counsil Executive Agency.

Start date is 1 February 2027 or shortly hereafter.

The projects
The aim is to understand and discover materials for catalyzing electrochemical reactions.

The first project is focused on catalysis on high entropy alloys and understanding their activity in energy conversion reactions.

The second project is focused on modelling stability of electrocatalyst materials. The aim is to develop a framework to predict metastability of catalyst materials.

Among the methods used will be Density Functional Theory, statistics, machine-learning and dynamics.

Collaboration with members of other research groups at UCPH and abroad is required.

Who are we looking for?
We are looking for candidates within the field(s) of chemistry, physics, nanochemistry, material science or similar. Applicants can have a background from solid state chemistry/physics, chemical engeneering, computational chemistry or similar.

Our group and research - and what do we offer?
In our group we work with theoretical catalysis, which is based on atomic scale simulations and dynamics. In this way we have insight into the structure, reactions and intermediates at an atomic level.

Our main research fields are:

• Electrocatalysis for various reactions: water splitting, CO2 reduction ect.
• Catalytic surfaces of high entropy alloys.
• Atomic scale simulations.

The Theory group consists of around 15 researchers (postdocs, PhD- MSc- and BSc students).

The Theory group is a part of Department of Chemistry, Faculty of SCIENCE, University of Copenhagen. We are located in Copenhagen.

We offer creative and stimulating working conditions in a dynamic and international research environment.

Principal supervisor is Center leader and Professor Jan Rossmeisl, Department of Chemistry , Se e-mailadresse på jobportal.ku.dk , Direct Phone: Se telefonnummer på jobportal.ku.dk

The PhD programme

Qualifications needed for the regular programme (5+3)
To be eligible for the regular PhD programme, you must have completed a degree programme, equivalent to a Danish master’s degree (180 ECTS/3 FTE BSc + 120 ECTS/2 FTE MSc) related to the subject area of the project, e.g. Chemistry, Material Science or Physics. For information of eligibility of completed programmes, see General assessments for specific countries and Assessment database .

Terms of employment in the regular programme
Employment as PhD fellow is full time and for maximum 3 years.

Employment is conditional upon your successful enrolment as a PhD student at the PhD School at the Faculty of SCIENCE, University of Copenhagen. This requires submission and acceptance of an application for the specific project formulated by the applicant.

Terms of appointment and payment accord to the agreement between the Danish Ministry of Taxation and The Danish Confederation of Professional Associations on Academics in the State. The position is covered by the Protocol on Job Structure.

Responsibilities and tasks in the PhD programmes

• Carry through an independent research project under supervision

• Complete PhD courses corresponding to approx. 30 ECTS / ½ FTE
• Participate in active research environments, including a stay at another research institution, preferably abroad
• Teaching and knowledge dissemination activities
• Write scientific papers aimed at high-impact journals
• Write and defend a PhD thesis on the basis of your project

We are looking for the following qualifications:

• Professional qualifications relevant to the PhD project
• Relevant publications
• Relevant work experience
• Other relevant professional activities
• Curious mind-set with a strong interest in catalysis
• Good language skills

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Application and Assessment Procedure

Your application including all attachments must be in English and submitted electronically by clicking APPLY NOW below.

Please include : 

1. Motivated letter of application (max. one page)
2. Curriculum vitae including information about your education, experience, language skills and other skills relevant for the position
3. Original diplomas for Master of Science and transcript of records in the original language, including an authorized English translation if issued in another language than English or Danish. If not completed, a certified/signed copy of a recent transcript of records or a written statement from the institution or supervisor is accepted.
4. Publication list (if possible)
5. Reference letters (if available)

Application deadline:

The deadline for applications is 18.10.2026, 23:59 GMT +2 .

We reserve the right not to consider material received after the deadline, and not to consider applications that do not live up to the abovementioned requirements.

The further process
After deadline, a number of applicants will be selected for academic assessment by an unbiased expert assessor. You are notified, whether you will be passed for assessment.

The assessor will assess the qualifications and experience of the shortlisted applicants with respect to the above mentioned research area, techniques, skills and other requirements. The assessor will conclude whether each applicant is qualified and, if so, for which of the two models. The assessed applicants will have the opportunity to comment on their assessment. You can read about the recruitment process at .

Interviews with selected candidates are expected to be held in week 46, November.

Questions
For specific information about the PhD fellowship, please contact the principal supervisor.

General information about PhD study at the Faculty of SCIENCE is available at the PhD School’s website: .

The University of Copenhagen wishes to reflect the surrounding community and invites all regardless of personal background to apply for the position.