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Rapaport, D. C.

The art of molecular dynamics simulation / D. C. Rapaport. - 2nd edition. - xi, 549 páginas : ilustraciones ;

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Referencias bibliográficas.

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.

ISBN: 0521825687

Subjects--Topical Terms:
Dinámica molecular
Materia condensada

Dewey Class. No.: 539.6 / R216a2 2004