Postdoc of Theoretical Catalysis

KU- SCIENCE - CHEM og MATH og NBI-HCØ; København; On-site; DKK 357,000 - 502,000; Full time

Job summary

The Department of Chemistry at the University of Copenhagen invites applications for a 2-year postdoctoral position within Theoretical Catalysis, starting 1 February 2027 or as soon as possible.

The successful candidate will advance understanding of catalytic processes and electrocatalysis through atomic-scale simulations, employing DFT, machine-learning potentials, Monte Carlo methods and statistical analysis, with close collaboration with experimental groups at DK and abroad.

Qualifications

• PhD required in computational chemistry, DFT or related background.
• Experience with theoretical catalysis or electrocatalysis is a plus.

Responsibilities

• Postdoc conducts research in Theoretical Catalysis.
• Collaborates with experimental groups.
• Contributes to publications and project milestones.

Skills

DFT simulations

Computational chemistry

Machine learning potentials

Electrocatalysis

Education

PhD in Computational Chemistry or related

Tools

DFT software

Job description

The Department of Chemistry invites applicants for a 2-year postdoc position within Theoretical Catalysis under the ERC-SyG DEMI, starting from 1 February 2027 or as soon as possible hereafter.

DEMI (Directed Evolution of Metastable Electrocatalyst Interfaces for Energy Conversion) is an ERC Synergy Grant funded by the European Research Council Executive Agency.

In the Theoretical Catalysis group, we aim to provide a deeper understanding of catalytic processes and catalytic materials by atomic scale simulations. We have a special interest in electrocatalytic reactions and high entropy materials, and the methods include DFT-simulations, machine learning potentials, Monte Carlo simulations and statistical analysis. We enjoy a close collaboration with experimental groups, both at the department and other universities in Denmark and abroad. The DEMI project is a collaboration with research groups from University of Bern, Ruhr University Bochum and Helmholtz-Institute Erlangen-Nürnberg.

The Theoretical Catalysis group is part of Center for High Entropy Alloy Catalysis.

The successful candidate holds a Ph.D. in computational chemistry, DFT-simulations, physical modelling or a similar background. Experience with theoretical catalysis or electrocatalysis is a benefit.

The postdoc’s duty is primarily research within Theoretical Catalysis but may include performance of other duties.

Further information on the Department is linked at www.chem.ku.dk .

Inquiries about the position can be made to Professor Jan Rossmeisl, phone [phone] or email: [e-mail].

The University wishes our staff to reflect the diversity of society and thus welcomes applications from all qualified candidates regardless of personal background.

Terms of employment

The position is covered by the Memorandum on Job Structure for Academic Staff.

Terms of appointment and payment accord to the agreement between the Ministry of Finance and The Danish Confederation of Professional Associations on Academics in the State.

Negotiation for salary supplement is possible.

Please include

• Motivation for the application
• Curriculum vitae
• Diplomas (Master and PhD degree or equivalent)
• Complete publication list

The deadline for applications is 15 November 2026, 23:59 CET.

After the deadline for application, the authorized recruitment manager selects applicants for assessment on the advice of the Interview Committee.

You can read about the recruitment process at http://employment.ku.dk/faculty/recruitment-process/ .