“…However, a key weakness of simulating synthesis, using for example, molecular dynamics (MD) are the short timescales accessible to MD, but these limitations are being surmounted using simulation strategies such as temperature assisted dynamics 21 and Monte Carlo 22 methods-and especially using combinations of simulation strategies. 21 In addition, innovative strategies such as genetic algorithms 23 and neural networks 24,25 have also been used to explore microstructure. Here, we use simulated crystallisation to generate an atomistic model of a nanostructure, which includes a variety of microstructural features.…”