The Art of Molecular Dynamics Simulation

The Art of Molecular Dynamics Simulation

by D. C. Rapaport, Rapaport

Hardcover

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Product Details

ISBN-13: 9780521445610
Publisher: Cambridge University Press
Publication date: 12/14/1995
Pages: 414
Product dimensions: 5.98(w) x 8.98(h) x 1.10(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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