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PhD Position: Multiscale Modeling of Catalyst De ... (No replies)

pplessow
8 years ago
pplessow 8 years ago

At the Institute of Catalysis Research and Technology (IKFT), catalytic processes for the production of chemical fuels, based on the conversion of accessible biomass synthesis gas and CO2 and H2 from renewable sources, are investigated both experimentally and theoretically. Long-term stability is essential for the technical utilization of catalysts. Sintering and chemical modification of surfaces are important mechanisms for catalyst deactivation. You will be studying these phenomena with density functional theory (DFT) and ab-initio methods. The obtained data will be used to simulate catalyst deactivation together with kinetic models that have yet to be developed. The main electronic structure program packages in use are VASP and TURBOMOLE.

Personal Qualification: Diploma or Master in Chemistry, Physics or related studies. You have successfully completed your diploma or master's degree and have a high interest in scientific research. Initial experience in the fields of heterogeneous catalysis, reaction mechanisms, theoretical chemistry and computer simulations are a good basis for the position. Good command of either German or English is mandatory.

The Institute of Catalysis Research and Technology (IKFT) is located at the Campus North of the Karlsruhe Institute of Technology (KIT).

https://www.ikft.kit.edu/

For questions and applications contact Philipp Pleßow, [email protected].




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Ab initio (from electronic structure) calculation of complex processes in materials