The Art of Molecular Dynamics Simulation / Edition 2

The Art of Molecular Dynamics Simulation / Edition 2

by D. C. Rapaport
Pub. Date:
Cambridge University Press
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The Art of Molecular Dynamics Simulation / Edition 2

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

Product Details

ISBN-13: 9780521825689
Publisher: Cambridge University Press
Publication date: 04/19/2004
Edition description: Revised Edition
Pages: 564
Sales rank: 919,851
Product dimensions: 7.10(w) x 9.80(h) x 1.20(d)

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.

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