This new volume offers a state-of-the-art report on various recent scientific developments in the theory of engineering materials. It addresses the close connection between modeling and experimental methods for studying a wide range of nanomaterials and nanostructures.Focusing on practical applications and industry needs, and supported by a solid outlining of theoretical background, the volume provides an overview of approaches that have been developed for designing nanostructured materials. It also covers several aspects of the simulation and design of nanomaterials, analyzed by a selected group of active researchers in the field. The volume also looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties and how they can be used to simulate and analyze nanostructures.Materials Modeling for Macro to Micro/Nano Scale Systems is addressed to a wide readership and will be useful for undergraduate and graduate students and as a reference source for professionals including engineers, applied mathematicians, and others working on different application of nanomaterials in engineering.