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
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
Journal title :
Computer Physics Communications
