This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics.

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

Computational Materials Science: An Introduction covers the essentials of computational science and explains how computational tools and techniques work to help

The development of new and superior materials is beneficial within industrial settings, as well as a topic of academic interest. By using computational modeling

In this book, original papers have been collected to demonstrate the efficient use of computer molecular dynamics simulation methods for the studying of nanosca