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Use of Langevin Thermostat to correctly sample boltzmann distribution

  1. Sep 17, 2014 #1
    In semiclassical and classical molecular dynamics it appears common to use thermostatted molecular dynamics in order to predict e.g. static equilibrium properties.

    In all the papers I have read they merely state that attaching a thermostat (specifically Langevin) to the dynamics is a stationary process, conserving the equilibrium distribution of the non thermostatted system.

    Whilst I can see intuitively that this makes sense I was hoping for help on how one proves that attaching a Langevin Thermostat does indeed rigorously generate the correct canonical ensemble.

    many thanks
     
  2. jcsd
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