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Workshop on The Electrode Potential in Electroch ... (No replies)

2 months ago
AGross 2 months ago

The Electrode Potential in Electrochemistry - A Challenge for Electronic Structure Theory

Workshop November 26-29, 2017, Castle Reisensburg near Ulm/Germany

Organizers: Axel Groß (Ulm University), Michiel Sprik (Cambridge University)


Topic of the workshop:

Processes at electrochemical electrode/electrolyte interfaces are of tremendous technological relevance as they occur in electrochemical energy conversion and storage, in corrosion, and even in biological systems. These interfaces are typically charged, and the processes are controlled by the electrode potential. Periodic electronic structure calculations based on density functional theory are well-suited to describe structures and processes at interfaces. However, it is not trivial to deal with charged interfaces in a periodic set-up. Hence it is fair to say that at the moment there is no generally accepted and wide-spread method to consider varying electrode potentials in first-principles electronic structure calculations. Therefore it is the goal of this workshop to bring together the experts in the field of computational electrochemistry, to review the current status and to identify promising approaches to deal with the electrode potential in quantum chemical studies. 

To get more information on the workshop and on the list of invited speakers, see



The present workshop at Castle Reisensburg will have about 55 participants, of which approximately 20 will be invited speakers each giving 45 minutes presentations. All participants will be accommodated at Castle Reisensburg. In addition, there will be some contributed talks, predominantly by young scientists to give them the chance to present their results to an international audience. Furthermore, the participants who are not giving talks will have the possibility to present their work at a poster session on the second evening. 

There is no registration fee for this workshop thanks to the support through the Psi-k network and the German Science Foundation (DFG). To apply for the workshop, please send an email to [email protected]


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