Test Bank for Understanding Molecular Simulation, 2th edition by Daan Frenkel

By: Daan Frenkel , Berend Smit
ISBN-10: 0122673514
/ ISBN-13: 9780122673511

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Format: Downloadable ZIP Fille
Authors: Daan Frenkel , Berend Smit
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Table of Contents

1. Introduction

Part I Basics 2. Statistical Mechanics 3. Monte Carlo Simulations 4. Molecular Dynamics Simulations

Part II Ensembles 5. Monte Carlo Simulations in Various Ensembles 6. Molecular Dynamics in Various Ensembles

Part III Free Energies and Phase Equilibria 7. Free Energy Calculations 8. The Gibbs Ensemble 9. Other Methods to Study Coexistence 10. Free Energies of Solids 11. Free Energy of Chain Molecules

Part IV Advanced Techniques 12. Long-Range Interactions 13. Biased Monte Carlo Schemes 14. Accelerating Monte Carlo Sampling 15. Tackling Time-Scale Problems 16. Rare Events 17. Dissipative Particle Dynamics


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