Postdoc position in Computational Catalysis

Ref REF 2023-0002

Energy efficient catalytic transformations is key for a sustainable society. You will in this project explore catalysts to facilitate the use of hydrogen as an energy carrier within the Liquid Organic Hydrogen Carrier technology.

Project description
Hydrogen is expected to be an important energy carrier in future sustainable energy systems that does not rely on fossil energy sources. One issue using hydrogen is, however, transportation and storage. The present technologies for storage and transportation are mainly based on liquid compressed hydrogen, which require very high pressures or very low temperatures. Technologies with Liquid Organic Hydrogen Carriers (LOHC) offer an alternative to compressed hydrogen by storing hydrogen in organic molecules. Hydrogen is in the LOHC technology stored in chemical bonds in a liquid carrier, which allow the usage of already existing infrastructure for conventional liquid fuels. The LOHC technology is based on catalytic hydrogenation and dehydrogenation steps using suitable storage molecules. The present project will explore potential catalysts for the hydrogenation and dehydrogenation steps and develop first-principles kinetic models for the reactions. The work will be performed at the division of Chemical Physics and the Competence Centre for Catalysis.

The main researcg theme 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.

The Competence Centre for Catalysis (KCK) is an interdisciplinary research center for catalysis at Chalmers. The goal of the center is to develop catalytic technology for sustainable transport, energy, and environmental systems. The center is integrated with the research and teaching activities at the departments of Physics, Chemistry and Chemical Engineering, and Mechanics and Maritime Science at Chalmers. KCK strives to provide an excellent environment for carrying out catalysis research with opportunities for interdisciplinary collaboration with researchers in related projects or with industry partners. The projects are conducted in collaboration with our member companies Johnson Matthey, Perstorp, Powercell, Preem, Scania CV, Umicore and Volvo Group.

Major responsibilities
Your major responsibility as postdoc is to perform your own research in a research group. The position may also include supervision of Master's and 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 20230005 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:
• Educational background
• Previous teaching and pedagogical experiences
• Complete list of publications
• 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
Email: Physics,
Phone: +46317722963

*** Chalmers declines to consider all offers of further announcement publishing or other types of support for the recruiting process in connection with this position. *** 

Chalmers University of Technology conducts research and education in engineering sciences, architecture, technology-related mathematical sciences, natural and nautical sciences, working in close collaboration with industry and society. The strategy for scientific excellence focuses on our six Areas of Advance; Energy, Health Engineering, Information and Communication Technology, Materials Science, Production and Transport. The aim is to make an active contribution to a sustainable future using the basic sciences as a foundation and innovation and entrepreneurship as the central driving forces. Chalmers has around 11,000 students and 3,000 employees. New knowledge and improved technology have characterised Chalmers since its foundation in 1829, completely in accordance with the will of William Chalmers and his motto: Avancez!


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