Multilevel coarse graining and nano-pattern discovery in many particle stochastic systems

DOI10.1016/J.JCP.2011.12.011zbMATH Open1247.82009arXiv1109.0459OpenAlexW2020159488WikidataQ60149113 ScholiaQ60149113MaRDI QIDQ419623FDOQ419623

Authors: Evangelia Kalligiannaki, Markos Katsoulakis, Petr Plecháč, Dionisios G. Vlachos 

Publication date: 18 May 2012

Published in: Journal of Computational Physics (Search for Journal in Brave)

Abstract: In this work we propose a hierarchy of Monte Carlo methods for sampling equilibrium properties of stochastic lattice systems with competing short and long range interactions. Each Monte Carlo step is composed by two or more sub - steps efficiently coupling coarse and microscopic state spaces. The method can be designed to sample the exact or controlled-error approximations of the target distribution, providing information on levels of different resolutions, as well as at the microscopic level. In both strategies the method achieves significant reduction of the computational cost compared to conventional Markov Chain Monte Carlo methods. Applications in phase transition and pattern formation problems confirm the efficiency of the proposed methods.

Full work available at URL: https://arxiv.org/abs/1109.0459

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zbMATH Keywords

Markov chain Monte Carlopattern formationphase transitionscoarse graininglattice systems

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Numerical analysis or methods applied to Markov chains (65C40) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Phase transitions (general) in equilibrium statistical mechanics (82B26)

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Cited In (7)

• From Mesoscale Back to Microscale: Reconstruction Schemes for Coarse-Grained Stochastic Lattice Systems
• A Micro-Macro Markov Chain Monte Carlo Method for Molecular Dynamics using Reaction Coordinate Proposals
• Computational efficiency study of a micro-macro Markov chain Monte Carlo method for molecular dynamics
• Predictive coarse-graining
• Coupled coarse graining and Markov chain Monte Carlo for lattice systems
• Coarse-grained langevin approximations and spatiotemporal acceleration for kinetic Monte Carlo simulations of diffusion of interacting particles
• On cellular automata models of traffic flow with look-ahead potential

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