Simulating Hamiltonian Dynamics
Simulating Hamiltonian Dynamics
Sebastian Reich, Imperial College of Science, Technology and Medicine, London
$85.99
USDThe 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
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
Product details
February 2005Hardback
9780521772907
396 pages
235 × 160 × 23 mm
0.75kg
71 b/w illus. 5 tables 80 exercises
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.
