Frontiers in Materials Modelling and Design: Proceedings of the Conference on Frontiers in Materials Modelling and Design, Kalpakkam, 20-23 August 1996

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.