Understanding Molecular Simulation: From Algorithms to Applications
Publication details: New York: Academic Press, 1996Edition: 2nd edDescription: 638pISBN: 9780122673511Subject(s): Molecules Models Computer simulation | Non-equilibrium Thermodynamics | Free Energy CalculationsDDC classification: 539.60113| Item type | Current library | Call number | Status | Date due | Barcode | Item holds |
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General Books
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Central Library, Sikkim University General Book Section | 539.60113 FRE/U (Browse shelf(Opens below)) | Available | 053447 |
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
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