Statistical Mechanics: Theory and Molecular Simulation

By uniting basic concepts in equilibrium and time-dependent statistical mechanics with modern computational techniques, the book provides a comprehensive view of how theory proceeds from concepts to model construction to practical algorithms.

(Oxford)

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1. Introduction; 2. Classical Mechanics; 3. Theoretical Foundations of Classical Statistical Mechanics; 4. The Microcanonical Ensemble and Introduction to Molecular Dynamics; 5. The Canonical Ensemble; 6. The Isobaric Ensembles; 7. The Grand Canonical Ensemble; 8. Monte Carlo Methods in Statistical Mechanics; 9. Free Energy Calculations; 10. Quantum Mechanics; 11. Quantum Ensembles and the Density Matrix; 12. Quantum Ideal Gases: Fermi-Dirac and Bose-Einstein Statistics; 13. The Feynman Path Integral; 14. Classical Time-Dependent Statistical Mechanics and Systems Away from Equilibrium; 15. Quantum Time-Dependent Statistical Mechanics; 16. The Generalized Langevin Equation; 17. Advanced Sampling Approaches; 18. Critical Phenomena; 19. Conclusions and Perspectives

(Oxford)