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

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

Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book intro

Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates o

Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most importa