We present an overview of numerical challenges in simulating electronic and transport properties of battery assemblies. Li diffusion paths within inorganic materials (olivine phosphates) are investigated using a dedicated accelerated molecular dynamics approach. The need of many-body electronic structure calculations is illustrated for the evaluation of intercalation potentials (LDA/GGA+U) and of transport properties (LDA+DMFT). Steps towards the improvement of silicon based anodic materials are shown. All in all, the framework of an ab initio simulation platform for materials for power storage is sketched.
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