A unique and timely book providing an overview of both the methodologies and applications of computational materials design.

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavio

This book deals with an information-driven approach to plan materials discovery and design, iterative learning. The authors present contrasting but complementar

This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials

Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especial