An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics (Q2482261): Difference between revisions
From MaRDI portal
Changed an Item |
Set OpenAlex properties. |
||
| (2 intermediate revisions by 2 users not shown) | |||
| Property / describes a project that uses | |||
| Property / describes a project that uses: Gromacs / rank | |||
Normal rank | |||
| Property / MaRDI profile type | |||
| Property / MaRDI profile type: MaRDI publication profile / rank | |||
Normal rank | |||
| Property / full work available at URL | |||
| Property / full work available at URL: https://doi.org/10.1007/s10955-007-9470-2 / rank | |||
Normal rank | |||
| Property / OpenAlex ID | |||
| Property / OpenAlex ID: W2114205033 / rank | |||
Normal rank | |||
Revision as of 15:30, 19 March 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics |
scientific article |
Statements
An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics (English)
0 references
16 April 2008
0 references
molecular dynamics
0 references
canonical ensemble
0 references
hybrid Monte-Carlo
0 references
holonomic constraints
0 references
free energy calculation
0 references
