Computer Simulation of LiquidsThis 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. |
Contents
1 Introduction | 1 |
2 Statistical mechanics | 46 |
3 Molecular dynamics | 95 |
4 Monte Carlo methods | 147 |
5 Some tricks of the trade | 185 |
6 Longrange forces | 216 |
7 Parallel simulation | 258 |
8 How to analyse the results | 271 |
Appendix A Computers and computer simulation | 481 |
Appendix B Reduced units | 487 |
Appendix C Calculation of forces and torques | 491 |
Appendix D Fourier transforms and series | 501 |
Appendix E Random numbers | 509 |
Appendix F Configurational temperature | 517 |
List of Acronyms | 521 |
List of Greek Symbols | 527 |
Other editions - View all
Computer Simulation of Liquids M. P. Allen,Dominic J. Tildesley,D. J. Tildesley Limited preview - 2017 |
Computer Simulation of Liquids: Second Edition Michael P. Allen,Dominic J. Tildesley No preview available - 2017 |
Common terms and phrases
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