Advances in Chemical Physics V105 Advances in Chemical Physics)
Published on 30. July 2008
Software
Other digital
420 pages
978-0-470-14164-9 (ISBN)
Description
"Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations" includes contributions from 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; and Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties. It also includes: 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; and David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems.
It also features: 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.
It also features: 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.
More details
Language
English
Place of publication
Hoboken
United Kingdom
Publishing group
John Wiley and Sons Ltd
Target group
Professional and scholarly
Weight
10 gr
ISBN-13
978-0-470-14164-9 (9780470141649)
Copyright in bibliographic data is held by Nielsen Book Services Limited or its licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions
David M. Ferguson | J. Ilja Siepmann | Paul Baum
Monte Carlo Methods in Chemical Physics, Volume 105
E-Book
09/2009
Wiley
€470.99
Available for download
Person
DAVID M. FERGUSON, PhD, is Associate Professor of Medicinal Chemistry at the University of Minnesota. He is a member of the graduate faculties in chemical physics and scientific computation. His research specialty is computer simulation of biophysical problems. J. ILJA SIEPMANN, PhD, is Assistant Professor of Chemistry and a member of the graduate faculties in chemical physics and chemical engineering and materials science at the University of Minnesota. His research specialties are computer simulation of complex fluids, statistical mechanics, and prediction of phase equilibria. DONALD G. TRUHLAR, PhD, is I.T. Distinguished Professor of Chemistry at the University of Minnesota, where he is also Director of the University of Minnesota Supercomputer Institute. He is a member of the graduate faculties in chemical physics and scientific computation. His research specialty is theoretical chemical dynamics.
Content
An Introduction to the Monte Carlo Method for Particle Simulations (J. Siepmann). Random Number Generators for Parallel Applications (A. Srinivasan, et al.). Between Classical and Quantum Monte Carlo Methods: "Variational" QMC (D. Bressanini & P. Reynolds). Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Methods (M. Nightingale & C. Umrigar). Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties (R. Topper). Monte Carlo Sampling for Classical Trajectory Simulations (G. Peslherbe, et al.). Monte Carlo Approaches to the Protein Folding Problem (J. Skolnick & A. Kolinski). Entropy Sampling Monte Carlo for Polypeptides and Proteins (H. Scheraga & M. Hao). Macrostate Dissection of Thermodynamic Monte Carlo Integrals (B. Church, et al.). Simulated Annealing-Optimal Histogram Methods (D. Ferguson & D. Garrett). Monte Carlo Methods for Polymeric Systems (J. de Pablo & F. Escobedo). Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria (J. Valleau). Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines (D. Kofke). Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids (J. Siepmann). Reactive Canonical Monte Carlo (J. Johnson). New Monte Carlo Algorithms for Classical Spin Systems (G. Barkema & M. Newman). Indexes.