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SIMULATING THE PHYSICAL WORLD
The simulation of physical systems requires a simplified, hierarchical approach,
which models each level from the atomistic to the macroscopic scale. From quan-
tum mechanics to fluid dynamics, this book systematically treats the broad scope
puter 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 biochem-
istry, this book will be suitable for advanced undergraduate and graduate courses
on molecular modeling and simulation within physics, biophysics, physical chem-
istry and materials science. It will also be a useful reference to all those working in
the field. Additional resources for this title including solutions for instructors and
programs are available online at 0521835275.
Herman J. C. Berendsen is Emeritus Professor of Physical Chemistry at
the University of Groningen. His research focuses on biomolecular modeling and
computer simulations plex systems. He has taught hierarchical modeling
worldwide and is highly regarded in this field.
SIMULATING THE PHYSICAL WORLD
Hierarchical Modeling from Quantum
Mechanics to Fluid Dynamics
HERMAN J. C. BERENDSEN
Emeritus Professor of Physical Chemistry,
University of Groningen, herlands
CAMBRIDGE UNIVERSITY PRESS
Cambridge, New York, Melbourne, Madrid, Cape Town, Singapore, São Paulo
Cambridge University Press
The Edinburgh Building, Cambridge CB2 8RU, UK
Published in the United States of America by Cambridge University Press, New York
Information on this title: 0521835275
© H. J. C. Berendsen 2007
This publication is in copyright. Subject to statutory exception and to the provision of
relevant co