A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble (Q930044)
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scientific article; zbMATH DE number 5290976
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| English | A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble |
scientific article; zbMATH DE number 5290976 |
Statements
A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble (English)
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19 June 2008
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Nosé-Hoover thermostat
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Lennard-Jones particles
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self-diffusivity
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external forces
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0.8895626068115234
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0.7766082286834717
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0.7532634735107422
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0.7436169981956482
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0.7339814305305481
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