Recent experimental advancements such as annular dark-field scanning transmission electron microscopy (ADF-STEM), have recently allowed reconstruction of the atomistic structure of NP from microscopy images taken at temperatures relevant to various applications. However, albeit ADF-STEM offers a high (atomistic) resolution , a major limitation in this approach lies in the discrepancy between the frequency of the experimental image acquisition and the timescales that characterize the NPs dynamics. In particular, typical ADF-STEM experimental setups can capture snapshots of the NP structure at intervals of approximately 0.1-1 s . The real atomic dynamic present within them may nonetheless unfold at much shorter timescales, typically in the ps and ns scales . While experimental techniques such as ADF-STEM allow for the collection of images and structures of NPs on a timescale relevant to experiments, the limited time resolution in data acquisition hinders the tracking of individual atomic movements within them. Conversely, computer simulations, namely atomistic molecular dynamic simulations that rely on reliable and accurate force fields, demonstrated to be remarkably useful for extracting data relevant to understand the atomic dynamics within nanoparticles in relevant conditions .