TY  - GEN
AU  - Frenkel,Daan
AU  - Smit, Berend
TI  - Understanding Molecular Simulation: From Algorithms to Applications
SN  - 9780122673511
U1  - 539.60113 
PY  - 1996///
CY  - New York
PB  - Academic Press
KW  - Molecules Models Computer simulation
KW  - Non-equilibrium Thermodynamics
KW  - Free Energy Calculations
N1  - 1. Introduction Part I: Basics 2. Thermodynamics and Statistical Mechanics 3. Monte Carlo Simulations 4. Molecular Dynamics Simulations 5. Computer Experiments Part II: Ensembles 6. Monte Carlo Simulations in Various Ensembles 7. Molecular Dynamics in Various Ensembles Part III: Free -Energy Calculations 8. Free Energy Calculations 9. Free Energies of Solids 10. Free Energy of Chain Molecules Part IV: Advanced Techniques 11. Long-Ranged Interactions 12. Configurational Bias Monte Carlo 13. Accelerating Monte Carlo Sampling 14. Time-Scale-separation Problems in MD 15. Rare Events 16. Mesoscopic Fluid Models Part V: Appendices A: Lagrangian and Hamiltonian B: Non-Hamiltonian Dynamics C: Non-equilibrium Thermodynamics D: Smoothed Dissipative Particle Dynamics E: Committor for 1-D diffusive barrier crossing F: Linear Response Theory: examples G: Statistical Errors H: Integration Schemes I: Saving CPU Time J: Reference States K: Statistical Mechanics of the Gibbs "Ensemble" L: Overlapping Distribution for Polymers M: Some General Purpose Algorithms
ER  -