Computational methods which can be employed to study metal corrosion include density functional theory (DFT), molecular dynamics (MD) simulations, kinetic Monte Carlo (KMC) simulations, phase field modelling, and other computational methods based on machine learning (ML) and artificial intelligence (AI). In this article, we provide a brief overview of atomistic-level simulation methods, focusing on density functional theory (DFT) and molecular dynamics (MD) simulations. For a more comprehensive understanding of these techniques, readers are encouraged to refer to the extensive literature available, including dedicated books and research articles.