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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| English | On the estimation and correction of discretization error in molecular dynamics averages |
scientific article; zbMATH DE number 6104884 |
Statements
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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0.7740604877471924
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0.7059043049812317
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0.690397322177887
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0.6677882671356201
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0.6635400056838989
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