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Teleported free energy simulations

Carbone, Davide
arXiv (All) · Papers
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mathematical-physicsstatistical-mechanics
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 a
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