Emeritus Professor of Physical Chemistry,
University of Groningen, the Netherlands

Cambridge, New York, Melbourne, Madrid, Cape Town, Singapore, S o Paulo

Cambridge University Press
The Edinburgh Building, Cambridge CB2 2RU, UK

Published in the United States of America by Cambridge University Press, New York

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First published 2007

A catalog record for this publication is available from the British Library

ISBN-10 0-521-83527-5 hardback

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The simulation of physical systems requires a simplified, hierarchical approach, which models each level from the atomistic to the macroscopic scale. From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, describing the fundamental theory behind each level of approximation. Berendsen evaluates each stage in relation to their applications giving the reader insight into the possibilities and limitations of the models. Practical guidance for applications and sample programs in Python are provided. With a strong emphasis on molecular models in chemistry and biochemistry, this...