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, Jan. R [email protected] , Direct Phone: +45 5071 9584

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

Application Deadline

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

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: https://www.science.ku.dk/phd/.

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

Part of the International Alliance of Research Universities (IARU), and among Europe’s top-ranking universities, the University of Copenhagen promotes research and teaching of the highest international standard. Rich in tradition and modern in outlook, the University gives students and staff the opportunity to cultivate their talent in an ambitious and informal environment.

An effective organisation – with good working conditions and a collaborative work culture – creates the idóneo framework for a successful academic career.

Info

Application deadline: 18-10-2026
Employment start: 01-02-2027
Working hours: Full time

Department/Location: Department of Chemistry

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📌 PhD fellowship in Theoretical Catalysis (Chimbote)
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