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Understanding Molecular Simulation
Molecular Dynamics Simulations
edited_book
Author(s):
Daan Frenkel
,
Berend Smit
Publication date
(Print):
2002
Publisher:
Elsevier
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There is no author summary for this book yet. Authors can add summaries to their books on ScienceOpen to make them more accessible to a non-specialist audience.
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Collective Dynamics
Author and book information
Book Chapter
Publication date (Print):
2002
Pages
: 63-107
DOI:
10.1016/B978-012267351-1/50006-7
SO-VID:
a8d2fe93-7c56-4e55-be28-61cd760af129
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Book chapters
pp. xiii
Preface to the Second Edition
pp. xix
List of Symbols
pp. xv
Preface
pp. 1
Introduction
pp. 9
Statistical Mechanics
pp. 23
Monte Carlo Simulations
pp. 63
Molecular Dynamics Simulations
pp. 111
Monte Carlo Simulations in Various Ensembles
pp. 139
Molecular Dynamics in Various Ensembles
pp. 167
Free Energy Calculations
pp. 201
The Gibbs Ensemble
pp. 225
Other Methods to Study Coexistence
pp. 241
Free Energies of Solids
pp. 269
Free Energy of Chain Molecules
pp. 291
Long-Range Interactions
pp. 321
Biased Monte Carlo Schemes
pp. 389
Accelerating Monte Carlo Sampling
pp. 409
Tackling Time-Scale Problems
pp. 431
Rare Events
pp. 465
Dissipative Particle Dynamics
pp. 481
Equations of Motion from the Lagrangian or Hamiltonian
pp. 495
Non-Hamiltonian Dynamics
pp. 509
Linear Response Theory
pp. 525
Statistical Errors
pp. 533
Integration Schemes
pp. 545
Saving CPU Time
pp. 559
Reference States
pp. 563
Statistical Mechanics of the Gibbs “Ensemble”
pp. 573
Overlapping Distribution for Polymers
pp. 577
Some General Purpose Algorithms
pp. 581
Small Research Projects
pp. 587
Hints for Programming
pp. 589
Bibliography
pp. 619
Author Index
pp. 628
Index
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