Hybrid Atomic-Scale Interface Design for Materials Functionality covers a broad range of atomistic, meso and macro scale computational methodologies, including multiphase (hybrid) materials constructs for tailoring structural, thermal and electrical properties. As future materials are expected to perform with increasing efficiency in complex and dynamic environments hybrid materials design, in contrast to monolithic concepts, they are a cost-effective alternative. Taking materials hybridization at smaller scale, even at atomic scale, offers exceedingly high-payoff opportunities for optimizing materials functionality at reduced material consumption and even reduced qualification costs (eliminates many costly component and system level qualification tests). Presents computational methodologies for materials hybridization and interface design at the atomic scale Covers materials interface design (atomic configuration), a key component to optimize and achieve performance metrics Helps readers with material selectivity and in the materials design phase of any product design