TY  - BOOK
AU  - LeSar,R.
TI  - Introduction to computational materials science: fundamentals to applications 
SN  - 9780521845878 (hardback)
PY  - 2013///
CY  - Cambridge
PB  - Cambridge University Press
KW  - Materials science
KW  - Data processing
KW  - Simulation methods
N1  - Includes bibliographical references and index; 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
ER  -