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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

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

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry,

This book describes the state-of-the-art research topics in theoretical materials science. It encompasses the computational methods and techniques which can adv

The essential introduction to computational science—now fully updated and expanded Computational science is an exciting new field at the intersection of the s