Integrated computational materials engineering (ICME) is an emerging discipline that can accelerate materials development and unify design and manufacturing. De

Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most importa

All technologies depend on the availability of suitable materials. The progress of civilisation is often measured by the materials people have used, from the st

This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and fi

Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the phys