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Simulating Hamiltonian Dynamics

$85.99 (C)

Part of Cambridge Monographs on Applied and Computational Mathematics

Authors:
Benedict Leimkuhler, University of Leicester
Sebastian Reich, Imperial College of Science, Technology and Medicine, London

Date Published: February 2005
availability: Available
format: Hardback
isbn: 9780521772907

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$ 85.99 (C)
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About the Authors

The simulation of matter by direct computation of individual atomic motions has become an important element in the design of new drugs and in the construction of new materials. This book demonstrates how to implement the numerical techniques needed for such simulation, thereby aiding the design of new, faster, and more robust solution schemes. Clear explanations and many examples and exercises will ensure the value of this text for students, professionals, and researchers.
- Thorough treatment of a relatively new subject, covers theory, applications and also gives practical advice on implementing the techniques
- Emphasis on 'efficient' numerical methods
- Large number of examples and exercises
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Reviews & endorsements
"Overall this is a book to be strongly recommended both for individual study and as the basis for a graduate course to a wide range of students. The arrangement of the chapters means that the description of the numerical methods and their properties is never far away from the applications that have motivated their development...Each chapter contains a set of exercises which are often quite short but very illuminating."
SIAM Review

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Product details
- Date Published: February 2005
- format: Hardback
- isbn: 9780521772907
- length: 396 pages
- dimensions: 235 x 160 x 23 mm
- weight: 0.75kg
- contains: 71 b/w illus. 5 tables 80 exercises
- availability: Available
Table of Contents
1. Introduction
2. Numerical methods
3. Hamiltonian mechanics
4. Geometric integrators
5. The modified equations
6. Higher order methods
7. Contained mechanical systems
8. Rigid Body dynamics
9. Adaptive geometric integrators
10. Highly oscillatory problems
11. Molecular dynamics
12. Hamiltonian PDEs.
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Authors
Benedict Leimkuhler, University of Leicester
Ben Leimkuhler is Professor of Applied Mathematics, and Director of the Centre for Mathematical Modelling at the University of Leicester.
Sebastian Reich, Imperial College of Science, Technology and Medicine, London
Sebastian Reich is Professor of Computational and Mathematical Modelling at Imperial College London.