Non-equilibrium molecular dynamics

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Non-equilibrium molecular dynamics (NEMD) [1] [2] [3].

References

  1. ↑ Denis J. Evans "Homogeneous NEMD algorithm for thermal conductivity—Application of non-canonical linear response theory", Physics Letters A 91 pp. 457-460 (1982)
  2. ↑ M. J. Gillan and M. Dixon "The calculation of thermal conductivities by perturbed molecular dynamics simulation", Journal of Physics C: Solid State Physics 16 pp. 869- (1983)
  3. ↑ Tamio Ikeshoji and Bjorn Hafskjold "Non-equilibrium molecular dynamics calculation of heat conduction in liquid and through liquid-gas interface", Molecular Physics 81 pp. 251-261 (1994)
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