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Simulating Hamiltonian dynamics

Author: B Leimkuhler; Sebastian Reich
Publisher: Cambridge, UK ; New York : Cambridge University Press, 2004.
Series: Cambridge monographs on applied and computational mathematics, 14.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:
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  Read more...
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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: B Leimkuhler; Sebastian Reich
ISBN: 0521772907 9780521772907
OCLC Number: 54677786
Description: xvi, 379 pages : illustrations ; 24 cm.
Contents: 1. Introduction --
2. Numerical methods --
3. Hamiltonian mechanics --
4. Geometric integrators --
5. The modified equations --
6. Higher-order methods --
7. Constrained mechanical systems --
8. Rigid body dynamics --
9. Adaptive geometric integrators --
10. Highly oscillatory problems --
11. Molecular dynamics --
12. Hamiltonian PDEs.
Series Title: Cambridge monographs on applied and computational mathematics, 14.
Responsibility: Benedict Leimkuhler, Sebastian Reich.
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Abstract:

A complete theoretical framework and guide to numerical geometric integration techniques. Includes examples and exercises.  Read more...

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'... this new book on geometric integration of Hamiltonian systems is a valuable addition to the subject that may be very useful not only as a textbook for courses in computational dynamics but also Read more...

 
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