アンダーセン・サーモスタット

アンダーセン・サーモスタット（英: Andersen thermostat）は、定温条件を維持するための分子動力学法における提案である[1][2]。選ばれた原子または分子の速度の再配分に基づいている。新しい速度は任意の温度についてのマクスウェル・ボルツマン統計によって与えられる。

脚注

  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 water)”. The Journal of Chemical Physics 78 (5): 2626. Bibcode: 1983JChPh..78.2626T. doi:10.1063/1.445020. 

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