Creator:

Lewandowski K.

Contributor:

Knychała P., Banaszak M.

Tags:

Monte Carlo, parallel tempering, replica exchange, feedback-optimized, polymer, single chain

Abstract:

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.

Place of publishing:

Poznań

Publisher:

OWN

Date accepted:

2010.04.23

Date submitted:

2010.03.15

Date issued:

2010.05.04

Date modified:

2010.04.21

Resource Type:

artykuł

Format:

application/pdf

Language:

eng