Teleported free energy simulations

Escorted free energy simulations reduce dissipation with a flow field that follows the equilibrium distribution. A continuous flow, however, cannot transfer probability between metastable basins. We show that any escort then faces a variance floor set by the change in basin weights, and lift it by adding teleportation: jumps at a rate proportional to the driving rate. We derive the corresponding nonequilibrium identity, the zero-dissipation condition, and the minimal number of jumps it requires, and illustrate the gain on an exactly solvable model and a tilted double well.

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Publication Details

Journal
arXiv (Cornell University)
Published
2026-10-29
DOI
https://doi.org/10.48550/arxiv.2610.40428
Primary Topic
Advanced Thermodynamics and Statistical Mechanics
Type
preprint
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preprint

Teleported free energy simulations

Davide Carbone
arXiv (Cornell University)
Advanced Thermodynamics and Statistical Mechanics
preprint

Teleported free energy simulations

Davide Carbone
preprint en

Abstract

Escorted free energy simulations reduce dissipation with a flow field that follows the equilibrium distribution. A continuous flow, however, cannot transfer probability between metastable basins. We show that any escort then faces a variance floor set by the change in basin weights, and lift it by adding teleportation: jumps at a rate proportional to the driving rate. We derive the corresponding nonequilibrium identity, the zero-dissipation condition, and the minimal number of jumps it requires, and illustrate the gain on an exactly solvable model and a tilted double well.

arXiv (Cornell University)
Centre d'Etudes et De Recherche en Informatique et Communications (FR)
Advanced Thermodynamics and Statistical Mechanics
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