Inverse Design of Self-Assembling Frank-Kasper Phases and Insights Into Emergent Quasicrystals.

We discuss how a machine learning approach based on relative entropy optimization can be used as an inverse design strategy to discover isotropic pair interactions that self-assemble single- or multicomponent particle systems into Frank-Kasper phases. In doing so, we also gain insights into the self-assembly of quasicrystals.