Prof. Dr. Dennis Kochmann (D-MAVT)
One of the key challenges in material modeling is the link between small-scale processes and the resulting, effective large-scale material performance. For the selected examples of ferroelectric ceramics and hcp metals, we demonstrate the applicability of computational homogenization paired with careful bottom-up material modeling in order to predict macroscopic material behavior from lower-scale information (including data from electronic structure and atomistic levels all the way up to the meso- and macroscale).