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OverviewComplex 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. Full Product DetailsAuthor: Mark Tuckerman (Professor of Chemistry and Mathematics, New York University and Courant Institute of Mathematical Sciences, New York)Publisher: Oxford University Press Imprint: Oxford University Press Dimensions: Width: 17.70cm , Height: 3.80cm , Length: 25.30cm Weight: 1.539kg ISBN: 9780198525264ISBN 10: 0198525265 Pages: 720 Publication Date: 11 February 2010 Audience: College/higher education , Postgraduate, Research & Scholarly Format: Hardback Publisher's Status: Out of Print Availability: Awaiting stock ![]() Table of Contents1: 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 PerspectivesReviews`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 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 Author InformationMark 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. Tab Content 6Author Website:Countries AvailableAll regions |