A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble (Q930044): Difference between revisions

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+https://doi.org/10.1016/j.jnnfm.2007.10.004
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+Q3525906
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+A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations
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+Determination of statistically reliable transport diffusivities from molecular dynamics simula\-tion
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+A Projective Thermostatting Dynamics Technique
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+A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble
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