In this field research at HIU, the formation of structures through chemical processes is simulated at the atomic level. At the same time, they examine how batteries work at the system level, for example to calculate the charging and discharging behavior in advance. Due to the increasing computer performance, the HIU scientists are able to come closer and closer to the realistic description of processes through extensive calculation algorithms. Simulations and modeling algorithms are used to gain a better understanding of the electrochemical processes taking place in the batteries.

The researchers use this not only to explain facts, but also to make predictions that contribute significantly to improving the material or battery properties. This can significantly reduce the number of experiments required to develop energy storage systems. This is why theorists and experimenters work very closely together at the HIU.