Computer Simulation of Liquids: Second Edition
Michael P. Allen and Dominic J. Tildesley
Abstract
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 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 ... More
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 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.
Keywords:
Molecular-dynamics,
Monte-Carlo,
molecular-simulation,
statistical-mechanics,
computer-modelling,
mesoscale-modelling
Bibliographic Information
| Print publication date: 2017 |
Print ISBN-13: 9780198803195 |
| Published to Oxford Scholarship Online: November 2017 |
DOI:10.1093/oso/9780198803195.001.0001 |
Authors
Affiliations are at time of print publication.
Michael P. Allen, author
Emeritus Professor and Visiting Fellow, University of Warwick and University of Bristol
Dominic J. Tildesley, author
Director and Titulair Professor of Chemistry, CECAM and École Polytechnique Fédérale de Lausanne
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