About this book
This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
CALPHAD Computational Thermodynamics Density Functional Theory (DFT) Diffusion Kinetics First-principles Calculations Integrative Computational Materials Design