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Author

Siqin Cao

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Open access Aug 2026

A Continuous-Space Analytical Framework for Committor Functions from Molecular Dynamics

This work introduces an analytical framework for computing continuous-space committor functions directly from molecular dynamics trajectories using a Liouville propagator formulated in a basis-function representation that provides a versatile foundation for analyzing dynamics in biomolecular systems and other complex d...

Siqin Cao, Xuhui Huang · 0 citations

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