On the estimation and correction of discretization error in molecular dynamics averages (Q1760126)

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scientific article; zbMATH DE number 6104884
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On the estimation and correction of discretization error in molecular dynamics averages
scientific article; zbMATH DE number 6104884

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    On the estimation and correction of discretization error in molecular dynamics averages (English)
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    12 November 2012
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    molecular dynamics
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    statistical mechanics
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    ensemble averages
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    symplectic integrators
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    Nosé-Poincaré Hamiltonian
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