Computer simulation of liquids
M. P. Allen, Dominic J. Tildesley, Oxford University Press (Publisher)
This is the second edition of a widely used practical guide to computer simulations of liquids. The technique uses a model for the way molecules interact, to predict how large numbers of them behave in liquid state. This essential introduction to this rapidly growing field is complete with illustrative computer code.
Print Book, English, 2017
2nd ed. impr. 1 View all formats and editions
Oxford University Press, Oxford, 2017
XIV, 626 s. : il. ; 25 cm.
9780198803195, 9780198803201, 0198803192, 0198803206
1000025849
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: Quantum 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