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arxiv: cond-mat/0205527 · v1 · submitted 2002-05-25 · ❄️ cond-mat

String Method for the Study of Rare Events

classification ❄️ cond-mat
keywords transitionenergymethodbarriersfreeratessmoothstring
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We present a new and efficient method for computing the transition pathways, free energy barriers, and transition rates in complex systems with relatively smooth energy landscapes. The method proceeds by evolving strings, i.e. smooth curves with intrinsic parametrization whose dynamics takes them to the most probable transition path between two metastable regions in the configuration space. Free energy barriers and transition rates can then be determined by standard umbrella sampling technique around the string. Applications to Lennard-Jones cluster rearrangement and thermally induced switching of a magnetic film are presented.

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Cited by 1 Pith paper

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score.

  1. Drift-React: One-step Generation of Reaction Pathways via SE(3) Drifting Fields

    physics.chem-ph 2026-05 unverdicted novelty 6.0

    Drift-React produces full minimum energy pathways for reactions in a single step via SE(3) drifting fields, matching TS accuracy of iterative models with orders-of-magnitude speedup on Transition1x and Halo8 datasets.