标题： 粒子自组装势能的快速生成 显示英文标题

标题： Fast Generation of Potentials for Self-Assembly of Particles

摘要： 我们解决设计各向同性成对粒子相互作用势的逆问题，这些势在粒子系统冷却时会导致形成所需的晶格。 设计问题的动机是希望制造具有特定结构和特性的材料。 我们提出了一种无需计算的启发式几何方法，以及一种快速且稳健的趋势优化方法，能够形成高质量的六边形晶格。 趋势优化方法特别成功，因为它非常适合对自组装设计问题中遇到的噪声大且计算昂贵的目标函数进行有效优化。 我们还提出了各向异性势，这些势能够稳健地导致形成kagome晶格，这是一种之前从未用各向同性势获得的晶格。 显示英文摘要

摘要： We address the inverse problem of designing isotropic pairwise particle interaction potentials that lead to the formation of a desired lattice when a system of particles is cooled. The design problem is motivated by the desire to produce materials with pre-specified structure and properties. We present a heuristic computation-free geometric method, as well as a fast and robust trend optimization method that lead to the formation of high quality honeycomb lattices. The trend optimization method is particularly successful since it is well-suited to efficient optimization of the noisy and expensive objective functions encountered in the self-assembly design problem. We also present anisotropic potentials that robustly lead to the formation of the kagome lattice, a lattice that has not previously been obtained with isotropic potentials.