| Description |
xiv, 400 pages : illustrations ; 24 cm |
| 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. Other interactions -- 12. Step potentials -- 13. Time-dependent phenomena -- 14. Algorithms for supercomputers -- 15. The future -- 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 |
| Analysis |
Molecules Dynamics Simulations Use of Computers |
| Notes |
Includes index |
| Bibliography |
Includes bibliographical references (pages 383-389) and indexes |
| Subject |
Matter -- Properties.
|
|
Molecular dynamics -- Computer simulation.
|
| LC no. |
95010724 |
| ISBN |
0521445612 (hardback) |
|
