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"In the highest civilization, the book is still the highest delight. He who has once known its satisfactions is provided with a resource against calamity."
- Ralph Waldo Emerson
(1803 - 1882),
Letters and Social Aims: Quotation and Originality,
1876
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ZIN Product Number: 10144513
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| | | |  | | | Product Details
 Format: Paperback, 400 pages
Publisher: Cambridge University Press
ISBN: 0521599423
| |  | | | From The Publisher
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.
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| | | |  | | | | Preface | | | About the software | | | 1 | Introduction | 1 | | 2 | Basic molecular dynamics | 12 | | 3 | Simulating simple systems | 42 | | 4 | Equilibrium properties of simple fluids | 78 | | 5 | Dynamical properties of simple fluids | 114 | | 6 | Alternative ensembles | 146 | | 7 | Nonequilibrium dynamics | 168 | | 8 | Rigid molecules | 191 | | 9 | Flexible molecules | 222 | | 10 | Geometrically constrained molecules | 234 | | 11 | Other interactions | 263 | | 12 | Step potentials | 285 | | 13 | Time-dependent phenomena | 316 | | 14 | Algorithms for supercomputers | 330 | | 15 | The future | 360 | | App. A1 Allocating arrays | | | App. A2 Organizing input data | | | App. A3 Managing extensive computations | | | App. A4 Utility functions | | | App. A5 Header files | | | App. A6 Variables | | | Bibliography | | | Function Index | | | Subject Index | |
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| | | | | | Keywords
Science/Mathematics, Science, Nuclear Physics, Physics, Computer simulation, Matter, Molecular dynamics, Properties, Science/Mathematics, Science, Nuclear Physics, Physics
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