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OverviewThis 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 both experiment 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 this pioneering 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 the text. Full Product DetailsAuthor: Michael Patrick Allen (Emeritus Professor and Visiting Fellow, Emeritus Professor and Visiting Fellow, University of Warwick and University of Bristol) , Dominic J. Tildesley (Director and Titulair Professor of Chemistry, Director and Titulair Professor of Chemistry, CECAM and École Polytechnique Fédérale de Lausanne)Publisher: Oxford University Press Imprint: Oxford University Press Edition: 2nd Revised edition Dimensions: Width: 17.10cm , Height: 3.00cm , Length: 24.50cm Weight: 0.001kg ISBN: 9780198803201ISBN 10: 0198803206 Pages: 640 Publication Date: 22 June 2017 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: To order  Stock availability from the supplier is unknown. We will order it for you and ship this item to you once it is received by us. Table of Contents1: Introduction 2: Statistical mechanics 3: Molecular dynamics 4: Monte Carlo methods 5: Some tricks of the trade 6: Long-range forces 7: Parallel simulation 8: How to analyse the results 9: Advanced Monte Carlo methods 10: Rare event simulation 11: Nonequilibrium molecular dynamics 12: Mesoscale methods 13: Quantum simulations 14: Inhomogeneous fluids App. A Computers and computer simulation App. B Reduced units App. C Calculation of forces and torques App. D Fourier transforms and series App. E Random numbers App. F Configurational temperatureReviewsThis 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 textbook such as this, the new edition stands head-and-shoulders above the others and is therefore strongly recommended. * Matt Probert, Contemporary Physics * Author InformationMichael 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 in Warwick, where he stayed in Physics until retirement in 2014. Allen was awarded an Alexander von Humboldt Foundation Forschungspreis in 1999, visiting Mainz (University and MPI for Polymer Research). He received the 2015 Lennard-Jones award and lectureship from the Royal Society of Chemistry Statistical Mechanics and Thermodynamics Group, and the Thermodynamics Conference series. Dominic Tildesley obtained his first degree at the University of Southampton, and his doctorate in Chemistry at the University of Oxford. After post-doctoral positions at Penn State and Cornell, he was appointed Lecturer, then Reader, and Professor in Chemistry at the University of Southampton. In 1998 he became Head of Physical Sciences at Unilever Research and Development, Port Sunlight and in 2004, Chief Scientist of the Home and Personal Care Division. In 2013, he was appointed as Director of the Centre Européen de Calcul Atomique et Moleculaire at the EPFL in Switzerland. Tildesley was awarded the Marlow and Tilden medals of the Royal Society of Chemistry and a CBE for services to science, technology and business. Tab Content 6Author Website:Countries AvailableAll regions |
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