Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...
Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...
Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...
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<strong>Molecular</strong> <strong>Dynamics</strong> <strong>Chapter</strong> <strong>2.</strong>1<br />
Grand Canonical Ensemble<br />
Canonical ensemble can be considered as a sub-microcanonical ensemble, where<br />
particle collisions and exchanges occur on the “boundary”.<br />
In practice, the reservoir buffer region can be flexibly designed and its<br />
boundary with the simulated region can also be flexibly designed.<br />
Centers of grand canonical ensemble algorithm developments
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