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
This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to cal
Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most importa
Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates o