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

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

This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to cal

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

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