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

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

Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the phys