1.

Record Nr.

UNINA9910144265503321

Titolo

Monte Carlo methods in chemical physics [[electronic resource] /] / edited by David M. Ferguson, J. Ilja Siepmann, Donald G. Truhlar

Pubbl/distr/stampa

New York, : J. Wiley, c1999

ISBN

1-282-68203-2

9786612682032

0-470-14164-6

0-470-14217-0

Descrizione fisica

1 online resource (574 p.)

Collana

Advances in chemical physics ; ; v. 105

Altri autori (Persone)

FergusonDavid M

SiepmannJ. Ilja

TruhlarDonald G. <1944->

Disciplina

539

541.305

541/.08

Soggetti

Monte Carlo method

Chemistry, Physical and theoretical

Electronic books.

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Description based upon print version of record.

Nota di bibliografia

Includes bibliographical references and indexes.

Nota di contenuto

MONTE CARL0 METHODS IN CHEMICAL PHYSICS; 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 MECHANICS; ADAPTIVE PATH-INTEGRAL MONTE CARL0 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 INTEGRALSSIMULATED 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 CARL0 SIMULATION;  INTEGRATION ALONG COEXISTENCE LINES; MONTE CARLO METHODS FOR SIMULATING PHASE EQUILIBRIA OF COMPLEX FLUIDS; REACTIVE CANONICAL MONTE CARLO; NEW MONTE CARL0 ALGORITHMS FOR CLASSICAL SPIN SYSTEMS; AUTHOR INDEX; SUBJECT INDEX

Sommario/riassunto

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 Sampli