The Art of Molecular Dynamics Simulation

Review
"What Press' Numerical Recipes did for scientific computing in general, Dennis Rapaport's new book will do for the field of molecular-dynamics simulation...designed to be useful to both beginners and experts...it deserves wide readership." Computers in Physics


Book Description
In this Second Edition an extensive series of detailed case studies introduces the reader to solutions to a variety of problems connected with the way molecular interactions and motions determine the properties of matter. The methods are widely used in studying phenomena involving everything from the simplest of liquids to highly complex molecules such as proteins. In addition to a significant amount of new material, this edition features completely rewritten software. First Edition Hb (1996): 0-521-44561-2 First Edition Pb (1996): 0-521-59942-3


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This book describes molecular dynamics simulation, an extremely powerful technique that involves solving the classical many-body problem in contexts relevant to the study of matter at the atomic level. The method allows the prediction of the static and dynamic properties of substances directly from the underlying interactions between the molecules. The author adopts a dual approach: the text is partly tutorial, but it also contains a large number of computer programs for practical use. This volume will be of value to advanced students and researchers in physics, chemistry, polymer science, and materials science.


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