[SY-D1] Data-Driven Materials Design in an Industrial Environment
We will present how a combination of an automated simulation workflow, including high-throughput DFT calculations, textmining, utilization of available data bases and machine learning can be used to design tailored materials with respect to cost efficiency and performance. We will discuss the necessary requirements from an industrial perspective and show first results in the field of battery materials and permanent magnets for electric engines. Possible extensions to go beyond the atomistic description and include the microstructure of materials are also briefly discussed.