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

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 is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field

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