In this article we provide a brief summary of computational techniques applied to investigate polymerization reactions in general, with a focus on systems under confinement and initiated from surfaces. We concentrate on two major classes of techniques, i.e., stochastic methods and molecular modeling. We describe the major principles of the two classes of methodologies and point out their strengths and weaknesses. We review a variety of studies from the literature and conclude with an outlook of these two classes of computer simulation approaches as they are applied to “grafting from” polymerizations.