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March 3, 2026
Learning the committor without collective variables
SA
Sergio Contreras Arredondo
CT
Chenyu Tang
Centre National de la Recherche Scientifique
RT
Radu A. Talmazan
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Puntos clave
The study uncovers the behavior of committor in complex energy landscapes, which is crucial for understanding molecular transitions.
Key evidence shows a significant correlation in committor values under various conditions, facilitating new insights into molecular dynamics.
Analysis utilized novel statistical methods to assess the committor without conventional collective variables, enhancing computational efficiency.
These findings may enable more accurate predictions of molecular behavior, although further exploration of collective variables is necessary.
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Cite This Study
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Arredondo et al. (Tue,) studied this question.
synapsesocial.com/papers/69a76178c6e9836116a2f799
https://doi.org/https://doi.org/10.1038/s43588-026-00958-2
Learning the committor without collective variables | Synapse