Advances in Chemical Physics, Volume 105, Monte Carlo Methods in Chemical Physics,

by Editor: David M. Ferguson; Editor: J. Ilja Siepmann; Editor: Donald G. Truhlar

• ISBN13: 9780470142172
• ISBN10: 0470142170
• Format: eBook
• Copyright: 2009-09-01
• Publisher: Wiley-Interscience

Summary

In Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations J. Ilja Siepmann Random Number Generators for Parallel Applications Ashok Srinivasan, David M. Ceperley and Michael Mascagni Between Classical and Quantum Monte Carlo Methods: "Variational" QMC Dario Bressanini and Peter J. Reynolds Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics M. P. Nightingale and C.J. Umrigar Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties Robert Q. Topper Monte Carlo Sampling for Classical Trajectory Simulations Gilles H. Peslherbe Haobin Wang and William L. Hase Monte Carlo Approaches to the Protein Folding Problem Jeffrey Skolnick and Andrzej Kolinski Entropy Sampling Monte Carlo for Polypeptides and Proteins Harold A. Scheraga and Minh-Hong Hao Macrostate Dissection of Thermodynamic Monte Carlo Integrals Bruce W. Church, Alex Ulitsky, and David Shalloway Simulated Annealing-Optimal Histogram Methods David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems Juan J. de Pablo and Fernando A. Escobedo Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria John Valleau Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines David A. Kofke Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids J. Ilja Siepmann Reactive Canonical Monte Carlo J. Karl Johnson New Monte Carlo Algorithms for Classical Spin Systems G. T. Barkema and M.E.J. Newman

Table of Contents

An Introduction to the Monte Carlo Method for Particle Simulations

Random Number Generators for Parallel Applications

Between Classical and Quantum Monte Carlo Methods: "Variational" QMC

Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Methods

Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties

Monte Carlo Sampling for Classical Trajectory Simulations

Monte Carlo Approaches to the Protein Folding Problem

Entropy Sampling Monte Carlo for Polypeptides and Proteins

Macrostate Dissection of Thermodynamic Monte Carlo Integrals

Simulated Annealing-Optimal Histogram Methods

Monte Carlo Methods for Polymeric Systems

Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria

Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines

Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids

Reactive Canonical Monte Carlo

New Monte Carlo Algorithms for Classical Spin Systems

Indexes

Table of Contents provided by Publisher. All Rights Reserved.