AUTHOR=Zhao Hanqing , Vucelja Marija 

TITLE=Nonreversible Markov Chain Monte Carlo Algorithm for Efficient Generation of Self-Avoiding Walks

JOURNAL=Frontiers in Physics

VOLUME=Volume 9 - 2021

YEAR=2022

URL=https://www.frontiersin.org/journals/physics/articles/10.3389/fphy.2021.782156

DOI=10.3389/fphy.2021.782156

ISSN=2296-424X

ABSTRACT=We introduce an efficient nonreversible Markov chain Monte Carlo algorithm to generate self-avoiding walks with a variable endpoint. In two dimensions, the new algorithm slightly outperforms the two-move nonreversible Berretti-Sokal algorithm introduced by H.~Hu, X.~Chen, and Y.~Deng  in~\cite{old}, while for three-dimensional walks, it is 3--5 times faster. The new algorithm introduces nonreversible Markov chains that obey global balance and allows for three types of elementary moves on the existing self-avoiding walk: shorten, extend or alter conformation without changing the walk's length.