Simulating Hamiltonian Dynamics

Simulating Hamiltonian Dynamics

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.


"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

'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

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