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Monte Carlo, parallel tempering, replica exchange, feedback-optimized, polymer, single chain
Monte Carlo, parallel tempering, replica exchange, feedback-optimized, polymer, single chain
artykuł
We present a study of the parallel tempering (replica exchange) Monte Carlo method, with special focus on the feedback-optimized parallel tempering algorithm, used for generating an optimal set of simulation temperatures. This method is applied to a lattice simulation of a homopolymer chain undergoing a coil-to-globule transition upon cooling. We select the optimal number of replicas for different chain lengths, N = 25, 50 and 75, using replica's round-trip time in temperature space, in order to determine energy, specific heat, and squared end-to-end distance of the homopolymer chain for the selected temperatures. We also evaluate relative merits of this optimization method.
OWN
2010.04.23
2010.05.04
2010.04.21
2010.03.15
Lewandowski K.
Poznań
eng
Knychała P., Banaszak M.
2010.05.04