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The Art of Molecular Dynamics Simulation

The Art of Molecular Dynamics Simulation

2nd Edition

$129.99 (Z)

  • Date Published: April 2004
  • availability: Available
  • format: Hardback
  • isbn: 9780521825689
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$129.99 (Z)

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About the Authors
  • 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

    • Updated edition of successful and very favourably reviewed book
    • Uses detailed case studies that allow real problems to be addressed
    • Includes a substantial amount of new material as well as completely rewritten software
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    Reviews & endorsements

    "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 deserves wide readership." Computers in Physics

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    Product details

    • Edition: 2nd Edition
    • Date Published: April 2004
    • format: Hardback
    • isbn: 9780521825689
    • length: 564 pages
    • dimensions: 254 x 178 x 32 mm
    • weight: 1.19kg
    • contains: 69 b/w illus. 23 tables 92 exercises
    • availability: Available
  • Table of Contents

    1. Introduction
    2. Basic molecular dynamics
    3. Simulating simple systems
    4. Equilibrium properties of simple fluids
    5. Dynamical properties of simple fluids
    6. Alternative ensembles
    7. Nonequilibrium dynamics
    8. Rigid molecules
    9. Flexible molecules
    10. Geometrically constrained molecules
    11. Internal coordinates
    12. Many-body interactions
    13. Long-range interactions
    14. Step potentials
    15. Time-dependent phenomena
    16. Granular dynamics
    17. Algorithms for supercomputers
    18. More about software
    19. The future.

  • Author

    D. C. Rapaport, Bar-Ilan University, Israel

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