Simulating Hamiltonian Dynamics

ISBN-13: 9780521772907 / Angielski / Twarda / 2005 / 396 str.

Benedict Leimkuhler; Sebastian Reich

Opis

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.

Recenzje

'I highly recommend it for a graduate course on multivariate approximation theory, computer-aided geometric design, and meshless methods for partial differential equations.' Numerical Algorithms

Spis treści

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.