Title of article :
The adaptive integration method for calculating general free energy functions Original Research Article
Author/Authors :
Robert H. Swendsen، نويسنده , , Marc Fasnacht، نويسنده , , John M. Rosenberg and Linda Jen-Jacobson، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2005
Abstract :
We describe a new adaptive sampling method for computing free energies for a wide variety of applications. The method is both simple and accurate. Results for thermodynamic quantities are obtained with this method in the form of continuous functions.
Keywords :
Free-energy calculations , Histogram methods , Radial distribution function , Monte Carlo , Adaptive sampling , Lennard–Jones fluid
Journal title :
Computer Physics Communications
Journal title :
Computer Physics Communications
