文档介绍：Texts putational Science
and Engineering 5
Editors
Timothy J. Barth
Michael Griebel
David E. Keyes
Risto M. Nieminen
Dirk Roose
Tamar Schlick
Michael Griebel
Stephan Knapek
Gerhard Zumbusch
Numerical Simulation
in Molecular Dynamics
Numerics, Algorithms,
Parallelization, Applications
With 180 Figures, 43 in Color, and 63 Tables
123
Michael Griebel Stephan Knapek
Institut für Numerische Simulation e-mail: ******@
Universität Bonn
Wegelerst r. 6
53115 Bonn, Germany
e-mail: ******@-
Gerhard Zumbusch
Institut für Angewandte Mathematik
Friedrich-Schiller-Universität Jena
Ernst-Abbe-Platz 2
07743 Jena, Germany
e-mail: ******@-
Library of Congress Control Number: 2007928345
Mathematics Subject Classification (2000): 68U20, 70F10, 70H05, 83C10, 65P10, 31C20,
65N06, 65T40, 65Y05, 68W10, 65Y20
ISSN 1611-0994
ISBN 978-3-540-68094-9 Springer Berlin Heidelberg New York
This work is subject to copyright. All rights are reserved, whether the whole or part of the material is
concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broad-
casting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of
this publication or parts thereof is permitted only under the provisions of the German Copyright Law
of September 9, 1965, in its current version, and permission for use must always be obtained from
Springer. Violations are liable for prosecution under the German Copyright Law.
Springer is a part of Springer Science+Business Media
© Springer-Verlag Berlin Heidelberg 2007
The use of general descriptive names, registered names, trademarks, etc. in this publication does
not imply, even in the absence of a specific statement, that such names are exempt from the relevant
protective laws and regulations and therefore free for general use.
Typesetting: by the authors using a Springer TEX macro package
Cover design: WMX Desi