Simulating Hamiltonian Dynamics (Hardcover)

Benedict Leimkuhler

ISBN 10: 0521772907 / ISBN 13: 9780521772907

Published by Cambridge University Press, Cambridge, 2004

About this Item

Hardcover. Geometric integrators are time-stepping methods, designed such that they exactly satisfy conservation laws, symmetries or symplectic properties of a system of differential equations. In this book the authors outline the principles of geometric integration and demonstrate how they can be applied to provide efficient numerical methods for simulating conservative models. Beginning from basic principles and continuing with discussions regarding the advantageous properties of such schemes, the book introduces methods for the N-body problem, systems with holonomic constraints, and rigid bodies. More advanced topics treated include high-order and variable stepsize methods, schemes for treating problems involving multiple time-scales, and applications to molecular dynamics and partial differential equations. The emphasis is on providing a unified theoretical framework as well as a practical guide for users. The inclusion of examples, background material and exercises enhance the usefulness of the book for self-instruction or as a text for a graduate course on the subject. 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. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability. Seller Inventory # 9780521772907

Bibliographic Details

Title: Simulating Hamiltonian Dynamics (Hardcover)

Publisher: Cambridge University Press, Cambridge

Publication Date: 2004

Binding: Hardcover

Condition: new

About this title

Synopsis:

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.

Book Description:

The simulation of matter by direct computation of individual atomic motions has seen huge growth in recent years: it has become an important element in the design of new drugs and in the construction of new materials. The goal of this book it to show how to place the numerical techniques needed for such simulation on a solid footing, thereby aiding the design of new, faster and more robust solution schemes. Clear exposition, worked examles and plentiful exercises mean this account will be valued by students, practitioners and researchers alike.