Article ID Journal Published Year Pages File Type
5390762 Chemical Physics Letters 2006 8 Pages PDF
Abstract
A method for sampling the free energy landscape of a complex system is proposed. We introduce an extended system where the collective variables are treated as dynamical ones, show that this allows to sample the free energy of these variables and accelerate the sampling via an artificial temperature for the collective variables.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations
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