A single-walker approach for studying quasi-ergodic systems

Zilvinas Rimas; Sergei Taraskin

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arXiv · 1609.05683

A single-walker approach for studying quasi-ergodic systems

Zilvinas Rimas·Sergei Taraskin

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Abstract

The jump-walking Monte-Carlo algorithm is revisited and updated to study the equilibrium properties of systems exhibiting quasi-ergodicity. It is designed for a single processing thread as opposed to currently predominant algorithms for large parallel processing systems. The updated algorithm is tested on the Ising model and applied to the lattice-gas model for sorption in aerogel at low temperatures, when dynamics of the system is critically slowed down. It is demonstrated that the updated jump-walking simulations are able to produce equilibrium isotherms which are typically hidden by the hysteresis effect characteristic of the standard single-flip simulations.

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Zilvinas Rimas, Sergei Taraskin. 2016-09-19. A single-walker approach for studying quasi-ergodic systems. https://arxiv.org/abs/1609.05683

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