Tethered Monte Carlo: managing rugged free-energy landscapes with a Helmholtz-potential formalism

DOI10.1007/S10955-011-0261-4MaRDI QIDQ644927zbMATH OpenOpenAlexFDO

Authors B. Seoane, D. Yllanes, Victor Martín-Mayor

Publication date 7 November 2011

Published in Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1107.2096

zbMATH Keywords

barrierseffective potentialMonte Carlo methods

Mathematics Subject Classification ID

Phase transitions (general) in equilibrium statistical mechanics (82B26) Disordered systems (random Ising models, random Schrödinger operators, etc.) in equilibrium statistical mechanics (82B44) Statistical mechanics of magnetic materials (82D40)

Abstract: Tethering methods allow us to perform Monte Carlo simulations in ensembles with conserved quantities. Specifically, one couples a reservoir to the physical magnitude of interest, and studies the statistical ensemble where the total magnitude (system+reservoir) is conserved. The reservoir is actually integrated out, which leaves us with a fluctuation-dissipation formalism that allows us to recover the appropriate Helmholtz effective potential with great accuracy. These methods are demonstrating a remarkable flexibility. In fact, we illustrate two very different applications: hard spheres crystallization and the phase transition of the diluted antiferromagnet in a field (the physical realization of the random field Ising model). The tethered approach holds the promise to transform cartoon drawings of corrugated free-energy landscapes into real computations. Besides, it reduces the algorithmic dynamic slowing-down, probably because the conservation law holds non-locally.

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Cited in

(2)

• Learning a restricted Boltzmann machine using biased Monte Carlo sampling
• Tethered Monte Carlo: computing the effective potential without critical slowing down

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• Janus

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