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Computer simulation of liquids

Author: Michael P Allen; Dominic J Tildesley
Publisher: Oxford Oxford University Press 2017.
Edition/Format:   Print book : English : Second editionView all editions and formats
Summary:
A first in its field, this book is both an introduction to computer simulation of liquids for upper level undergraduates and a how-to guide for specialists. The authors discuss the latest simulation techniques of molecular dynamics and the Monte Carlo methods as well as how to avoid common programming pitfalls. Theoretical concepts and practical programming advice are amply reinforced with examples of computer  Read more...
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Document Type: Book
All Authors / Contributors: Michael P Allen; Dominic J Tildesley
ISBN: 9780198803201 0198803206 9780198803195 0198803192
OCLC Number: 1000409581
Description: xiv, 626 Seiten : Illustrationen
Contents: 1: Introduction2: Statistical mechanics3: Molecular dynamics4: Monte Carlo methods5: Some tricks of the trade6: Long-range forces7: Parallel simulation8: How to analyse the results9: Advanced Monte Carlo methods10: Rare event simulation11: Nonequilibrium molecular dynamics12: Mesoscale methods13: Quantum simulations14: Inhomogeneous fluidsApp. A Computers and computer simulationApp. B Reduced unitsApp. C Calculation of forces and torquesApp. D Fourier transforms and seriesApp. E Random numbersApp. F Configurational temperature
Responsibility: Michael Patrick Allen, Dominic J. Tildesley.

Abstract:

This is the second edition of a widely used practical guide to computer simulations of liquids. The technique uses a model for the way molecules interact, to predict how large numbers of them behave  Read more...

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This new edition is a welcome update and has kept the strengths of the first edition and been thoroughly refreshed and expanded for the modern age. Whilst there is now much more competition for a Read more...

 
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