An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics (Q2482261)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | 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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