Frontiers in Materials Modelling and Design

The subject matter of these proceedings is materials modelling and design, which is a frontier area of research in the development of advanced materials. The proceedings represent an effort to bring together state-of-the-art contributions on several important materials problems covering physics, chemistry, and metallurgy. Theoretical tools such as ab-initio and classical molecular dynamics, Monte Carlo simulations, density functional based electronic structure and finite element calculations have been used to understand materials properties at electronic, atomic, and macroscopic scales.
TOC: Introduction Methodologies Alloys Correlated Electron Systems Clusters and Nanomaterials Surfaces and Interfaces Phase Transitions Microstructure and Deformation