In the last decades, nanoparticles (NPs) have been assembled into clusters, low-dimensional superstructures, crystallites, and bulk materials. Typically, the self-assembly processes are controlled by competing and relatively complex interactions acting between the nanoscale components, which depend on the types of NPs, solvents, and external fields. Here, we show how selected mean-field, coarse-grained, atomistic, and quantum simulation methods are used at different scales to describe systems of self-assembling NPs studied experimentally. These simulation methods can provide in-depth understanding of the processes active during the formation of these systems.

中文翻译：

---

自组装纳米颗粒的模拟方法

在过去的几十年中，纳米颗粒（NP）已被组装成簇、低维超结构、微晶和块体材料。通常，自组装过程是通过纳米级组件之间的竞争和相对复杂的相互作用来控制的，这取决于纳米颗粒、溶剂和外部场的类型。在这里，我们展示了如何在不同尺度上使用选定的平均场、粗粒度、原子和量子模拟方法来描述实验研究的自组装纳米颗粒系统。这些模拟方法可以深入了解这些系统形成过程中的活动过程。