THE ART OF MOLECULAR DYNAMICS SIMULATION - Hardcover

'The book is very thorough ... wide-ranging, clearly written and easy to follow ... All in all a most useful book. I recommend it strongly to all researchers involved with molecular dynamics.' M. G. B. Drew, Computers and Chemistry

'What Press et al.'s Numerical Recipes ... did for scientific computing in general, Dennis Rapaport's new book will do for the field of molecular-dynamics ... simulation ... Rapaport's book is useful ... and it deserves wide readership.' R. L. Blumberg Selinger, Computers in Physics

'The book itself is well written and deals easily with the complexities of the subject. I would gladly recommend it to any researcher in the field.' Chemistry & Industry

This book describes the extremely powerful technique of molecular dynamics simulation, which 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. Because there is no alternative approach capable of handling such a broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This volume will be of value to advanced students and researchers in physics, chemistry, polymer science and materials science in universities and industrial laboratories.