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Latest revision as of 20:37, 27 June 2024

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An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics
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    An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics (English)
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    16 April 2008
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    molecular dynamics
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    canonical ensemble
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    hybrid Monte-Carlo
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    holonomic constraints
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    free energy calculation
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