Molecular dynamics simulations are always associated with a temperature that represents the natural state of a system.

However, some techniques, like Simulated Annealing Molecular Dynamics, where temperature fluctuates up and down to allow the system to escape local minima, use a non-constant temperature.

In such a case, how is this applied to the system?

I found a very closely related question, but the answer goes beyond my knowledge. If I am looking at Langevin dynamics, is it accurate to say that the temperature is being applied primarily as an increase in particle acceleration?

  • 3
    $\begingroup$ Matter Modeling SE is full of experts on this. $\endgroup$
    – Jon Custer
    Nov 3, 2022 at 20:45
  • 3
    $\begingroup$ @JonCuster Got it, thanks! I've reposted there! $\endgroup$
    – Paul
    Nov 3, 2022 at 21:13


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