Variationally Enhanced Sampling

Main content

The Variationally Enhanced Sampling (VES) method [1] is born as an evolution of Metadynamics, and shares with it the idea of enhancing the sampling by biasing some collective variables which characterize the system under investigation.
It reduces the procedure of finding the free energy surface to the problem of minimizing the following convex functional:

the VES functional

VES is still under development, but it has been succesfully applied to several problems.

 
 
Page URL: http://www.parrinello.ethz.ch/research/variationally-enhanced-sampling.html
Fri Jun 23 08:23:49 CEST 2017
© 2017 Eidgenössische Technische Hochschule Zürich