Introduction to Computational Materials Science: Fundamentals to Applications van Richard LeSar is an English-language textbook that focuses on computational materials science. This book is suitable for higher-education students who want a solid foundation in materials science and computer modeling.
It covers the fundamental principles and methods of computational materials science, ranging from electronic structure and microstructural evolution to mesoscale modeling. Theory and practice are combined with clear explanations of essential equations and extensive appendices on classical and quantum mechanics, electrostatics, statistical thermodynamics, and linear elasticity.
The textbook also includes online available exercises, worked examples, and computer codes, aimed at providing practical experience. This helps students to understand and apply models in materials science, from fundamentals to advanced applications.
The title is thematically aligned with topics such as materials science, physical chemistry, and technology & engineering / materials science / general.