Postdoc Position in Computational Catalysis - Gothenburg, Sverige - Chalmers tekniska högskola

Beskrivning

Energy efficient catalytic transformations is key in a sustainable society.

In this project you will 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 energy carrier in a future sustainable energy system 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.

Information about the division and the department

The main theme for the research at 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.

(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 , 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 research in the research group. The position may also include supervising master's and/or PhD students to a certain extent. The position is meritorious for future research duties within academia as well as industry/the public sector.

Qualifications 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

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

Exceptions from the 3-year limit can be made for longer periods resulting from parental leave, sick leave or military service*.

The date shown in your doctoral degree certificate is the date we use, as this is the date you have met all requirements for the doctoral degree.

Contract terms This postdoc position is a full-time temporary employment for twoyears.
We offer Chalmers offers a cultivating and inspiring working environment in the coastal city of .