Inverse Design of Self-Assembling Frank-Kasper Phases and Insights Into Emergent Quasicrystals
BA Lindquist and RB Jadrich and WD Pineros and TM Truskett, JOURNAL OF PHYSICAL CHEMISTRY B, 122, 5547-5556 (2018).
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.
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