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
| Language | Label | Description | Also known as |
|---|---|---|---|
| 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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