Table of Contents

1: Introduction
2: Classical Mechanics
3: Theoretical Foundations of Classical Statistical Mechanics
4: The Microcanonical Ensemble and Introduction to Molecular Dynamics
5: The Canonical Ensemble
6: The Isobaric Ensembles
7: The Grand Canonical Ensemble
8: Monte Carlo Methods in Statistical Mechanics
9: Free Energy Calculations
10: Quantum Mechanics
11: Quantum Ensembles and the Density Matrix
12: Quantum Ideal Gases: Fermi-Dirac and Bose-Einstein Statistics
13: The Feynman Path Integral
14: Classical Time-Dependent Statistical Mechanics and Systems Away from Equilibrium
15: Quantum Time-Dependent Statistical Mechanics
16: The Generalized Langevin Equation
17: Advanced Sampling Approaches
18: Critical Phenomena
19: Conclusions and Perspectives

About the Author

Mark E. Tuckerman, Ph.D.
Professor of Chemistry and Mathematics
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 in Zurich, Switzerland followed by a position sponsored by the National Science Foundation in Advanced Computing at the University of Pennsylvania from 1995-1996. He joined the faculty of New York University in 1997 where he is
currently Professor of Chemistry and Mathematics. Tuckerman's research interests include theoretical studies of reactions in solution, organic reactions on semi-conductor surfaces, and dynamics of molecular
crystals. He is also active in the development of methodology of molecular dynamics (including new techniques for enhancing conformational sampling and prediction of free energies in biological systems) and novel approaches to electronic structure and ab initio molecular dynamics calculations.

Reviews

`A good contribution to scholarship in this area.'
Paul Madden, University of Oxford
`Addresses an important area in a nicely coherent and systematic way.'
Marshall Stoneham, University College London
`A welcome addition to the literature.'
Daan Frenkel, University of Cambridge