HRETIS extends RETIS with a Hamiltonian replica exchange (engine-swap) move that accelerates path decorrelation and convergence in rare-event simulations of multi-channel and membrane permeation systems.
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Collaborate to decorrelate in path space: Hamiltonian replica exchange transition interface sampling (HRETIS)
HRETIS extends RETIS with a Hamiltonian replica exchange (engine-swap) move that accelerates path decorrelation and convergence in rare-event simulations of multi-channel and membrane permeation systems.