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News/Reactive Flux Matching: Mechanism Discovery and Adaptive Sampling of Rare Events
arxiv
PublishedJune 5, 2026 at 4:00 AM

Reactive Flux Matching: Mechanism Discovery and Adaptive Sampling of Rare Events

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arXiv:2606.06295v1 Announce Type: new Abstract: Path sampling methods generate ensembles of reactive trajectories connecting metastable states, but extracting mechanistic insight from these data remains nontrivial. We introduce Flux Matching, a framework that learns two complementary objects directl

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