Workshop: Computational modelling of batteries
POLiS spokesperson Axel Groß and HIU board member Arnulf Latz hosted a workshop on computer models in battery research for roughly 50 international participants at Reisensburg Castle from October 23 to 26. Computational modeling of structures and processes in batteries is becoming inceasingly more important, first, in order to obtain a deeper understanding of the fundamental principles underlying the operation of batteries, and second, as a contribution to the development of batteries with improved properties. From a theoretical and computational point of view, the modeling of batteries is rather challenging due to the complexity of the structures and processes present in the anode, electrolyte, and cathode of batteries and at their interfaces. Typically, properties at different length and time scales contribute to the performance of batteries necessitating a multi-scale approach. The workshop served to foster exchanges between researchers who perform ab initio electron structure calculations to determine atomic-level properties and researchers who use continuum methods on mesoscopic and macroscopic time and length scales.