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Study of thermodynamic and structural properties of a flexible homopolymer chain using advanced Monte Carlo methods
EPJ Web of Conferences
We study the thermodynamic and structural properties of a flexible homopolymer chain using both multi canonical Monte Carlo method and Wang-Landau method. In this work, we focus on the coil-globule transition. Starting from a completely random chain, we have obtained a globule for different sizes of the chain. The implementation of these advanced Monte Carlo methods allowed us to obtain a flat histogram in energy space and calculate various thermodynamic quantities such as the density ofdoi:10.1051/epjconf/20134404007 fatcat:otjz3eudfbdfxdykjlcxys5dqq