Atomic scale simulations provide a computational means to study and understand fundamental processes in plasma - surface interactions. These interactions are quite complex, and unraveling them is a highly non-trivial task. Employing state-of-the-art simulation techniques, we gain insight in how these interactions are coupled, and how we may modify them in order to steer the process. In this seminar, I will first introduce the various atomic scale methods at our disposal. In particular, I will highlight traditional molecular dynamics (MD), accelerated dynamics methods and (force bias) Monte Carlo methods. Subsequently, I will highlight some recent results on understanding plasma - surface interactions using atomistic simulations, in particular focussing on carbon nanomaterials, including both growth and etching of graphene and carbon nanotubes.