It generalizes the narrower concepts of the grand canonical ensemble and canonical ensemble in statistical mechanics.
12.
It is not trivial to obtain a canonical ensemble distribution of conformations and velocities using these algorithms.
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Also, Langevin dynamics allows controlling the temperature like a thermostat, thus approximating the canonical ensemble.
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The probability of a given energy level being populated in the canonical ensemble is given by its Boltzmann factor
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Surface ionization effect in a vaporized cesium atom at 1500 K, calculated using a grand canonical ensemble.
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Behavior over larger force ranges can be modeled using a canonical ensemble treatment identical to magnetization of paramagnetic spins.
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Under certain conditions, the Gibbs canonical ensemble maximizes the von Neumann entropy of the state subject to the energy conservation requirement.
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The thermodynamic variables of the grand canonical ensemble are chemical potential ( symbol : ) and absolute temperature ( symbol : ).
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For chemistry problems involving chemical reactions, the grand canonical ensemble provides the appropriate foundation, and there are two Lagrange multipliers.
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In the canonical ensemble, amount of substance ( N ), volume ( V ) and temperature ( T ) are conserved.
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