Andersen thermostat

The Andersen thermostat is a proposal in molecular dynamics simulation for maintaining constant temperature conditions.[1] [2] It is based on the reassignment of a chosen atom or molecule's velocity. The new velocity is given by Maxwell–Boltzmann statistics for the given temperature.

References

  1. ↑ Andersen, H. C. (1980). "Molecular dynamics simulations at constant pressure and/or temperature". The Journal of Chemical Physics 72 (4): 2384. 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 watera)". The Journal of Chemical Physics 78 (5): 2626. Bibcode:1983JChPh..78.2626T. doi:10.1063/1.445020.

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