Castle Reisensburg 2017



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

Workshop November 26 -29, 2017


Axel Groß (Ulm University), Michail Sprik (Cambridge University)

Castle Reisensburg near Ulm

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.


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.

This workshop is supported by the European Psi-k Network for electronic structure calculations, the German Science Foundation (DFG), and the DFG Research Unit FOR 1376 "Elementary Reaction Steps in Electrocatalysis: Theory meets Experiment". Because of this support, there are no conference fees. To apply for the workshop, please send an email to Axel.Gross[ad]

Workshop program

Workshop speakers

Workshop location