LeSar, R. <br/><br/>
Introduction to computational materials science :  fundamentals to applications / 
Richard LeSar 
 - Cambridge :  Cambridge University Press,  2013 
 - xiii, 414 p. :  ill. ;  25 cm. 
<br/><br/>Includes bibliographical references and index 
<br/><br/>1. Materials modelling and simulation -- Part I. Some Basics: 2. The random walk model -- 3. Simulation of finite systems -- Part II. Atoms and Molecules: 4. Electronic structure methods -- 5. Interatomic potentials -- 6. Molecular dynamics -- 7. The Monte Carlo method -- 8. Molecular and macromolecular systems -- Part III. Mesoscopic Methods -- 9. Kinetic Monte Carlo -- 10. Monte Carlo methods at the mesoscale -- 11. Cellular automata -- 12. Phase-field methods -- 13. Mesoscale dynamics -- Part IV. Some Final Words -- 14. Materials selection and design -- Part V. Appendices: A. Energy units -- B. Introduction to materials -- C. Mathematical background -- D. Classical mechanics -- E. Electrostatics -- F. Quantum mechanics -- G. Statistical thermodynamics and kinetics -- H. Linear elasticity -- I. Introduction to computation 
<br/><br/><label>ISBN: </label>9780521845878 (hardback) 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Materials science--Data processing<br/>Materials science--Simulation methods