A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble (Q5489355)
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scientific article; zbMATH DE number 5057380
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| English | A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble |
scientific article; zbMATH DE number 5057380 |
Statements
A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble (English)
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25 September 2006
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molecular dynamics
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npt
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isobaric-isothermal ensemble
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Hamiltonian
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0.8895626068115234
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0.738391637802124
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0.7346760630607605
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0.7319522500038147
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0.7310722470283508
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