Postdoc of Theoretical Catalysis

University of Copenhagen; København; On-site; DKK 420,000 - 560,000; Full time

Job summary

The Department of Chemistry at the University of Copenhagen invites applications for a 2-year postdoc position in Theoretical Catalysis as part of the ERC-SyG DEMI project, starting 1 February 2027 or as soon as possible thereafter.

The successful candidate will perform theoretical and computational research on catalytic processes, including DFT simulations and machine learning potentials, with close collaboration across Denmark and abroad. Teaching duties are possible but limited.

Qualifications

• PhD in computational chemistry or closely related field.
• Experience with theoretical catalysis or electrocatalysis is a benefit.
• Strong modelling and simulation skills.

Responsibilities

• Carry out research within Theoretical Catalysis as part of the ERC-SyG DEMI project.
• Collaborate with experimental groups and other universities in Denmark and abroad.

Skills

Computational chemistry background

Theoretical catalysis

Electrocatalysis knowledge

Education

PhD in computational chemistry/DFT/physical modelling

Tools

DFT simulations

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.