AI-Driven Material Design: Innovations through Physics Simulations.

Max-Planck-Institut für Eisenforschung researchers have published a review in the journal Nature Computational Science, exploring the possibilities of artificial intelligence in materials science. The researchers discuss how combining physics-based simulations with AI can open untapped spaces for the design of complex materials. Advanced materials are urgently needed for everyday life, be it in high technology, mobility, infrastructure, green energy or medicine. However, traditional ways of discovering and exploring new materials encounter limits due to the complexity of chemical compositions, structures and targeted properties.