Inverse Design of Crystals and Quasicrystals in a Non-Additive Binary Mixture of Hard Disks
Published in Arxiv - Preprint, 2024
This paper explores the inverse design of crystals and quasicrystals in a non-additive binary mixture of hard disks. To locate the necessary state points and physical parameters where self-assembly for (quasi)crystals occurs, we employed an inverse design technique. Essentially, we solve a black box optimization (BBO) problem using an evolutionary strategy (CMA-ES). In the paper we utilize two different fitness functions. First of all a CNN, secondly a new symmetry-based order parameter.
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