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. Moreover, new materials should not only enable novel applications, but also include sustainable ways of producing, using and recycling them.
Researchers from the Max-Planck-Institut für Eisenforschung (MPIE) review the status of physics-based modelling and discuss how combining these approaches with artificial intelligence can open so far untapped spaces for the design of complex materials.
They published their perspective in the journal Nature Computational Science (“Accelerating the design of compositionally complex materials via physics-informed artificial intelligence”).
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