Better than counting: Density profiles from force sampling
classification
❄️ cond-mat.soft
physics.comp-ph
keywords
densitymethodcountingdynamicsforceprofilesalternativebetter
read the original abstract
Calculating one-body density profiles in equilibrium via particle-based simulation methods involves counting of events of particle occurrences at (histogram-resolved) space points. Here we investigate an alternative method based on a histogram of the local force density. Via an exact sum rule the density profile is obtained with a simple spatial integration. The method circumvents the inherent ideal gas fluctuations. We have tested the method in Monte Carlo, Brownian Dynamics and Molecular Dynamics simulations. The results carry a statistical uncertainty smaller than that of the standard, counting, method, reducing therefore the computation time.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.