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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| http://dx.doi.org/10.1021/acs.jpcb.7b11841 | DOI Listing |
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