The availability of multi-scale simulation methods provides an opportunity to allow research, development, and marketing of novel systems to occur in a parallel manner, a fact that can greatly facilitate innovation. As a result, much attention has been focused on applying these methods to the study of nanomaterials, owing to their enormous potential in materials applications. This book provides a critical assessment of the current state-of-the-art modeling and simulation techniques used to study the mechanical properties and behavior of novel nanomaterials and composites.