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PhD Position at the Institute of Theoretical Che ... (No replies)

3 days ago
AGross 3 days ago

PhD position in Theoretical Chemistry, Ulm University, Germany ( )

There is an opening for a PhD position in the project C5, "Structures and Processes in the Photocatalytic Hydrogen Evolution by Immobilized Metal Complexes Studied from First Principles" within the Transregional Collaborative Research Center TRR234 CATALIGHT "Light-driven Molecular Catalysts in Hierarchically Structured Materials" ( ) starting January 1st, 2019.

This is a joint project with the group of Prof. Dr. Stefanie Gräfe at FSU Jena. We will investigate atomistic structures and processes in light-driven molecular catalysts from a theoretical point of view. We will employ quantum chemical approaches to investigate the fundamental mechanisms of charge transfer and photocatalytic activity of immobilized metalorganic complexes synthesized  and employed in CATALIGHT. Specifically, the following goals shall be reached : i) structural and photophysical characterization of the isolated, photocatalytically active metal complexes, ii) determination of the influence of either anchoring the complexes  to an oxide electrode or integrating them into functional soft matter matrices, iii) elucidating mechanistic details of the photocatalytic water reduction in the (immobilized) systems.

Ideally, the candidate should have a Master degree in Chemistry or Physics and a strong interest in computer simulations on the molecular level. Applicants should have basic experience with Linux, first-principles electronic structure methods, molecular dynamics and programming. Language and interpersonal skills for working in an international research environment with colleagues from other disciplines are desirable. The salary will be according to 65% TV-L E13.

Please contact:

Prof. Dr. Axel Groß, Institute of Theoretical Chemistry, Ulm University

Email: [email protected]

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