Statistical Mechanics: Theory and Molecular Simulation

Hardcover | February 14, 2010

byMark Tuckerman

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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 burgeoningusers 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 arisein 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-responsetheory, 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 experiencedpractitioners will find the book to be a useful reference tool for the field.

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From the Publisher

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 burgeoningusers and developers to become active participa...

Mark E. Tuckerman, Ph.D., is Professor of Chemistry and Mathematics at New York University. Mark E. Tuckerman obtained his undergraduate degree in Physics at the University of California Berkeley in 1986 and his PhD in Physics from Columbia University. From 1993-1994, he held a postdoctoral fellowship at the IBM Research Laboratory i...
Format:HardcoverDimensions:672 pages, 9.69 × 6.73 × 0.06 inPublished:February 14, 2010Publisher:Oxford University PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0198525265

ISBN - 13:9780198525264

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Table of Contents

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

Editorial Reviews

"A welcome addition to the literature." --Daan Frenkel, University of Cambridge