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One-Dimensional And Two-Dimensional Simulations Of Helical Homopolymers: A Comparative Analysis Of Energy Stabilization And Efficiency​, Nathan Roberts, Matthew Hooks

Scholars Week

The purpose of our work is to analyze the results of a two-dimensional parallel tempering Monte Carlo simulation of a coarse-grained helical homopolymer. The two-dimensional simulation allows Hamiltonian exchanges across both temperature and torsion values, while the one-dimensional simulation exclusively exchanges across temperature values. The genesis of each simulation is defined by a randomly configured polymer; as time progresses, randomly generated movements of monomers decrease the structure’s energy until equilibrium is reached. Equilibrium is determined by finding the absolute minimum of the data series, computing the mean of all remaining data, and finding the intersection between the rolling average and …