Postdoctoral Researcher in Computational Electrocatalysis and Sofware Development

Organisation/Company University of Jyväskylä Research Field Chemistry » Computational chemistry Chemistry » Other Computer science » Programming Computer science » Other Engineering » Other Physics » Chemical physics Physics » Computational physics Researcher Profile Recognised Researcher (R2) Final date to receive applications 18 Mar 2026 - 21:59 (UTC) Country Finland Type of Contract Temporary Job Status Full-time Is the job funded through the EU Research Framework Programme?

Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No

The Department of Chemistry invites applications for two fixed-term Postdoctoral Researcher positions in a research project on computational method development and electrocatalysis funded by the Research Council of Finland. The positions will commence on 1 April 2026, or as agreed, and will continue until 31 December 2028.

The project combines computational chemistry, electrocatalysis, and high-performance computing. Its objective is to develop computational methodologies and to advance the fundamental understanding of alcohol electro-oxidation reactions on transition metal catalysts relevant to sustainable energy technologies.

The research makes extensive use of the LUMI supercomputer, enabling large-scale simulations of complex electrochemical reactions under realistic reaction conditions. The two postdoctoral researchers will have distinct but closely connected roles within the project.

The successful candidate will focus on the development of GPU-accelerated GPAW software based on density functional theory (DFT) for constant-potential calculations within a plane-wave framework. The developed software will be tested and validated to electrochemical systems.

The position involves computational method development, scientific software engineering, and large-scale simulations on high-performance computing platforms.

The successful candidate will investigate reaction mechanisms at electrochemical metal–water interfaces, with particular emphasis on how solvent, applied potential, and cations influence alcohol electro-oxidation reactions on transition metal catalysts.

The work aims to clarify structure–activity relationships and the mechanistic factors governing catalytic performance at the atomic scale.

The postdoctoral researchers will work in close collaboration with each other, with the project’s experimental partners, and with the GPAW development team. The positions are embedded in an active computational chemistry research environment with access to national and European high-performance computing infrastructure.

Applicants must hold or be about to obtain a doctoral degree in chemistry, physics, materials science, or a closely related field. The degree must be obtained before the beginning of the employment. In addition:

• For Position 1, demonstrated experience in computational method development and/or scientific software development is required.
• For Position 2, demonstrated experience in computational electrocatalysis or modelling of electrochemical systems is required.

At the University of Jyväskylä, you are a recognized member of our community with a unique opportunity to influence international research. You get to participate in our international and multidisciplinary community where the welfare of each individual is important. At the University of Jyväskylä, we offer a great and lively campus area with opportunities to maintain an active and healthy lifestyle.

Finland has a high standard of living, with free schooling (also in English), affordable childcare, good family benefits, and healthcare. Jyväskylä is located in central Finland in the Finnish lakeland and has excellent opportunities for different nature, outdoor, and sports activities. The city of Jyväskylä is a major educational center and the city has a large student population. As such there is a vibrant cultural scene in the city.

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