Postdoc of Theoretical Catalysis

Department of Pharmacy, University of Copenhagen; Áncash; On-site; PEN 186,000 - 217,000; Full time

Job summary

The University of Copenhagen invites applications for a 2-year postdoc in Theoretical Catalysis within the ERC-SyG DEMI project. The successful candidate will perform atomic-scale simulations to understand catalytic processes, including DFT-simulations, ML potentials, and Monte Carlo methods, with collaboration across Denmark and abroad.

We value experience in theoretical catalysis or electrocatalysis and a Ph.D. in computational chemistry or a closely related field.

Qualifications

• 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.
• Postdoc position duration is 2 years starting Feb 2027 with research focus in Theoretical Catalysis.

Responsibilities

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

Skills

DFT simulations

Theoretical catalysis

Electrocatalysis

Machine learning potentials

Monte Carlo simulations

Education

PhD in computational chemistry

Job description

Postdoc of Theoretical Catalysis

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.

• 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 https://employment.ku.dk/faculty/recruitment-process/.

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 ideal framework for a successful academic career.

Contact

Jan Rossmeisl

E-mail: [e-mail]

• Application deadline: 15-11-2026
• Employment start: 01-02-2027
• Working hours: Full time
• Department/Location: Department of Chemistry