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Computer Simulation of Liquids: Second Edition

Michael P. Allen and Dominic J. Tildesley

Published in print:
2017
Published Online:
November 2017
ISBN:
9780198803195
eISBN:
9780191841439
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198803195.001.0001
Subject:
Physics, Theoretical, Computational, and Statistical Physics, Soft Matter / Biological Physics

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 ... More


Molecular dynamics

Michael P. Allen and Dominic J. Tildesley

in Computer Simulation of Liquids: Second Edition

Published in print:
2017
Published Online:
November 2017
ISBN:
9780198803195
eISBN:
9780191841439
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198803195.003.0003
Subject:
Physics, Theoretical, Computational, and Statistical Physics, Soft Matter / Biological Physics

This chapter introduces the classical equations of motion for a system of molecules, and describes their solution by stable, accurate, time-stepping algorithms. Simple atomic systems, rigid ... More


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