Title of article
Constant pressure Langevin dynamics: theory and application Original Research Article
Author/Authors
D. Quigley، نويسنده , , M.I.J. Probert، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2005
Pages
4
From page
322
To page
325
Abstract
The method of constant pressure Langevin dynamics is reviewed. The particular utility of the method for ab-initio simulation is discussed. Example results for both semi-empirical and ab-initio systems are given.
Keywords
Non-Hamiltonian systems , Langevin dynamics , Ab-initio molecular dynamics
Journal title
Computer Physics Communications
Serial Year
2005
Journal title
Computer Physics Communications
Record number
1136896
Link To Document