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Andersen thermostat information


The Andersen thermostat is a proposal in molecular dynamics simulation for maintaining constant temperature conditions.[1][2] It is based on periodic reassignment of the velocities of atoms or molecules. For each atom or molecule, the reassigned velocity is picked randomly according to Maxwell–Boltzmann statistics for the given temperature.

  1. ^ Andersen, H. C. (1980). "Molecular dynamics simulations at constant pressure and/or temperature". The Journal of Chemical Physics. 72 (4): 2384–2393. Bibcode:1980JChPh..72.2384A. doi:10.1063/1.439486.
  2. ^ Tanaka, H. (1983). "Constant temperature molecular dynamics calculation on Lennard-Jones fluid and its application to water)". The Journal of Chemical Physics. 78 (5): 2626–2634. Bibcode:1983JChPh..78.2626T. doi:10.1063/1.445020.

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