Postdoc in Computational Electrocatalysis

Ref REF 2023-0013

Energy efficient catalytic transformations is key in a sustainable society. In this project you will explore computationally electrocatalytic reactions for synthesis of ammonia and methanol.

Information about the research and the department

The societal conversion to sustainable energy systems is an urgent and global challenge. The use of fossil energy sources should be phased-out and the energy efficiency of existing processes should increase. Sustainable energy systems are based on solar, wind and hydropower, and possibilities for energy storage is required to balance the intermittent nature of these energy sources. A convenient way to store energy is in chemical bonds and there is a need to develop catalytic materials that allow for energy-efficient and selective chemical transformations within the energy sector. This project will develop and apply a computational framework to explore electrocatalytic synthesis of important energy carriers and stock chemicals. The project will target the complexity of reactions at the solid/liquid/gas interface over nano-catalysts by applying a multiscale approach where the catalytic activity and selectivity are evaluated from first-principles. The work will focus on electrochemical CO2 reduction to methanol and N2 reduction to ammonia.

The main theme for the research at Chemical Physics is the development of sustainable energy systems by use of heterogeneous catalysis for alternative fuel production, emission control, energy storage, and fuel cells. The research is interdisciplinary with strong connections between fundamental and applied science. Chemical Physics is a dynamic and international environment that strives for scientific excellence through teamwork and combined theoretical and experimental efforts.

The theoretical activities at Chemical Physics focus on electronic structure calculations within the density functional theory together with mean-field modeling and Monte-Carlo simulations for reaction kinetics. By linking quantum mechanical calculations with kinetic modeling it is possible to bridge both length and time scales.

Read more:

This recruitment is connected to the Wallenberg Initiative Materials Science for Sustainability (WISE, WISE, funded by the Knut and Alice Wallenberg Foundation, is the largest-ever investment in materials science in Sweden and will encompass major efforts at Sweden’s foremost universities over the course of 10 years. The vision is a sustainable future through materials science.Read more: https://wise-materials.orgAll early-stage researchers recruited into the WISE program will be a part of the WISE Graduate School (, an ambitious nationwide program of seminars, courses, research visits, and other activities to promote a strong multi-disciplinary and international network between PhD students, postdocs, researchers, and industry.

Major responsibilities

Your major responsibility as postdoc is to perform your own research in a research group. The position may also include supervising master’s and/or PhD students.


To qualify for the position of postdoc, you must hold a doctoral degree generally awarded no more than three years prior to the application deadline.The successful candidate should have:

(1) PhD in Physics, Chemistry or Materials Science

(2) Experience from first-principles electronic structure calculations

(3) Experience from modeling surface reactions(4) Documented experience in programming(5) Excellent communication skills in written and spoken English

Contract terms

This postdoc position is a full-time temporary employment for two years.

We offer

Chalmers offers a cultivating and inspiring working environment in the coastal city of Gothenburg. Read more about working at Chalmers and our benefits for employees.Chalmers aims to actively improve our gender balance. We work broadly with equality projects, for example the GENIE Initiative on gender equality for excellence. Equality and diversity are substantial foundations in all activities at Chalmers.

Application procedure

The application should be marked with Ref 20230025 and written in English. The application should be sent electronically and be attached as PDF-files, as below. Maximum size for each file is 40 MB. Please note that the system does not support Zip files.

CV: (Please name the document as: CV, Surname, Ref. number) including:

  • CV, include complete list of publications
  • Previous teaching and pedagogical experiences
  • Two references that we can contact.

Personal letter: (Please name the document as: Personal letter, Family name, Ref. number)1-3 pages where you:

  • Introduce yourself
  • Describe your previous research fields and main research results
  • Describe your future goals and future research focus

Other documents:

Attested copies of completed education, grades and other certificates.Use the button at the foot of the page to reach the application form.

Application deadline: February 19, 2023

For questions, please contact:

Henrik Grönbeck, Physics, Email:, Tel: +46317722963