An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics (Q2482261): Difference between revisions
From MaRDI portal
Changed an Item |
Created claim: MaRDI profile type (P1460): MaRDI publication profile (Q5976449), #quickstatements; #temporary_batch_1710496893715 |
||
Property / MaRDI profile type | |||
Property / MaRDI profile type: MaRDI publication profile / rank | |||
Normal rank |
Revision as of 12:18, 15 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