Essays about: "kanonisk ensemble"

Found 1 essay containing the words kanonisk ensemble.

  1. 1. Long Time Integration of Molecular Dynamics at Constant Temperature with the Symplectic Euler Method

    University essay from KTH/Numerisk analys, NA

    Author : Jesper Böjeryd; [2015]
    Keywords : The symplectic Euler method; Ornstein-Uhlenbeck process; Molecular dynamics; Long time integration; Canonical ensemble; Constant temperature; Symplektisk Euler; Ornstein-Uhlenbeck-process; molekyldynamik; integration över lång tid; kanonisk ensemble; konstant temperatur.;

    Abstract : Simulations of particle systems at constant temperature may be used to estimate several of the system’s physical properties, and some require integration over very long time to be accurate. To achieve sufficient accuracy in finite time the choice of numerical scheme is important and we suggest to use the symplectic Euler method combined with a step in an Ornstein-Uhlenbeck process. READ MORE