A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble (Q5489355): Difference between revisions
From MaRDI portal
Set profile property. |
Added link to MaRDI item. |
||
links / mardi / name | links / mardi / name | ||
Revision as of 04:04, 7 March 2024
scientific article; zbMATH DE number 5057380
Language | Label | Description | Also known as |
---|---|---|---|
English | A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble |
scientific article; zbMATH DE number 5057380 |
Statements
A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble (English)
0 references
25 September 2006
0 references
molecular dynamics
0 references
npt
0 references
isobaric-isothermal ensemble
0 references
Hamiltonian
0 references