Simulating Hamiltonian Dynamics

Book Description
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.


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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.


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