Computer Simulation of Liquids by Michael P. AllenComputer Simulation of Liquids by Michael P. Allen

Computer Simulation of Liquids

byMichael P. Allen, Dominic J. Tildesley

Paperback | July 5, 2017

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This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing bothexperiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of thispioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in thetext.
Michael Allen obtained his first degree, and doctorate, in Chemistry at the University of Oxford. After post-doctoral positions at UCLA and Oxford, he was, in 1985, appointed Lecturer, then Reader, and finally Professor in Physics at the University of Bristol. In 2001 he became founding Director of the Centre for Scientific Computing i...
Title:Computer Simulation of LiquidsFormat:PaperbackDimensions:640 pagesPublished:July 5, 2017Publisher:Oxford University PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0198803206

ISBN - 13:9780198803201

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Table of 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. .antum 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