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The Art of Molecular Dynamics Simulation
monograph
Author(s):
D. C. Rapaport
Publication date
(Online):
2009
Publisher:
Cambridge University Press
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Collective Dynamics
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Book
ISBN:
9780511816581
Publication date (Print):
2004
Publication date (Online):
2009
DOI:
10.1017/CBO9780511816581
SO-VID:
03567fd0-1bfb-4a88-bd70-21e6a0a4480c
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Book chapters
pp. ix
Preface to the first edition
pp. xii
Preface to the second edition
pp. xiii
About the software
pp. 1
Introduction
pp. 11
Basic molecular dynamics
pp. 44
Simulating simple systems
pp. 83
Equilibrium properties of simple fluids
pp. 120
Dynamical properties of simple fluids
pp. 153
Alternative ensembles
pp. 176
Nonequilibrium dynamics
pp. 199
Rigid molecules
pp. 245
Flexible molecules
pp. 267
Geometrically constrained molecules
pp. 296
Internal coordinates
pp. 326
Many-body interactions
pp. 344
Long-range interactions
pp. 391
Step potentials
pp. 418
Time-dependent phenomena
pp. 436
Granular dynamics
pp. 446
Algorithms for supercomputers
pp. 481
More about software
pp. 505
The future
pp. 509
Appendix
pp. 519
References
pp. 549
Colophon
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