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Inverse Design of Self-Assembling Frank-Kasper Phases and Insights Into Emergent Quasicrystals
The Journal of Physical Chemistry B ( IF 3.3 ) Pub Date : 2018-02-27 00:00:00 , DOI: 10.1021/acs.jpcb.7b11841
Beth A. Lindquist , Ryan B. Jadrich , William D. Piñeros , Thomas M. Truskett

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.

中文翻译:

自组装Frank-Kasper相的逆设计和对准拟晶体的见解

我们讨论了如何将基于相对熵优化的机器学习方法用作逆设计策略,以发现各向同性的对相互作用,该相互作用将单组分或多组分粒子系统自组装为Frank-Kasper相。这样做,我们还获得了准晶体自组装的见解。
更新日期:2018-02-27
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