Computer simulation of liquids /
Allen, M. P.,
Computer simulation of liquids / Michael P. Allen, Department of Physics, University of Warwick, UK, H. H. Wills Physics Laboratory, University of Bristol, UK, Dominic J. Tildesley, Centre Européen de Calcul Atomique et Moleculaire (CECAM), EPFL, Switzerland. - Second edition. - xiv, 626 pages : illustrations ; 25 cm.
Includes index.
Includes bibliographical references (pages 536-621).
Statistical mechanics -- Molecular dynamics -- Monte Carlo methods -- Some tricks of the trade -- Long-range forces -- Parallel simulation -- How to analyse the results -- Advanced Monte Carlo methods -- Rare event simulation -- Nonequilibrium molecular dynamics -- Mesoscale methods -- Quantum simulations -- Inhomogeneous fluids.
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.
9780198803201 0198803206
2017936745
Liquids--Mathematical models.
Líquidos--Modelos matemáticos
Liquids--Data processing.
Molecular dynamics
Dinámica molecular
Monte Carlo method
Método Monte Carlo
QC145.2 / .A43 2017
530.420724
Computer simulation of liquids / Michael P. Allen, Department of Physics, University of Warwick, UK, H. H. Wills Physics Laboratory, University of Bristol, UK, Dominic J. Tildesley, Centre Européen de Calcul Atomique et Moleculaire (CECAM), EPFL, Switzerland. - Second edition. - xiv, 626 pages : illustrations ; 25 cm.
Includes index.
Includes bibliographical references (pages 536-621).
Statistical mechanics -- Molecular dynamics -- Monte Carlo methods -- Some tricks of the trade -- Long-range forces -- Parallel simulation -- How to analyse the results -- Advanced Monte Carlo methods -- Rare event simulation -- Nonequilibrium molecular dynamics -- Mesoscale methods -- Quantum simulations -- Inhomogeneous fluids.
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.
9780198803201 0198803206
2017936745
Liquids--Mathematical models.
Líquidos--Modelos matemáticos
Liquids--Data processing.
Molecular dynamics
Dinámica molecular
Monte Carlo method
Método Monte Carlo
QC145.2 / .A43 2017
530.420724