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Viser: Statistical Mechanics - Theory and Molecular Simulation
Statistical Mechanics
Theory and Molecular Simulation
Mark Tuckerman
(2023)
Sprog: Engelsk
Oxford University Press
885,00 kr.
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Detaljer om varen
- Hardback: 672 sider
- Udgiver: Oxford University Press (Marts 2023)
- ISBN: 9780198525264
Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.
1. Introduction2. Classical Mechanics3. Theoretical Foundations of Classical Statistical Mechanics4. The Microcanonical Ensemble and Introduction to Molecular Dynamics5. The Canonical Ensemble6. The Isobaric Ensembles7. The Grand Canonical Ensemble8. Monte Carlo Methods in Statistical Mechanics9. Free Energy Calculations10. Quantum Mechanics11. Quantum Ensembles and the Density Matrix12. Quantum Ideal Gases: Fermi-Dirac and Bose-Einstein Statistics13. The Feynman Path Integral14. Classical Time-Dependent Statistical Mechanics and Systems Away from Equilibrium15. Quantum Time-Dependent Statistical Mechanics16. The Generalized Langevin Equation17. Advanced Sampling Approaches18. Critical Phenomena19. Conclusions and Perspectives
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