Multi-Scale Modeling in Materials Science and Engineering

Multi-scale materials modeling combines existing and emerging methods from diverse scientific disciplines to bridge the wide range of time and length scales that are inherent in a number of essential phenomena and processes in materials science and engineering. In this contribution we demonstrate how novel developments have changed the field in recent years from a descriptive to a predictive approach and have led to the modeling of properties and functions of complex materials under realistic constraints. A proper linkage of electronicstructure theory and statistical methods is necessary to describe the physics and chemistry that govern the properties and processes of materials under realistic temperature and pressure conditions.