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Approximating committor functions: Objective functions and enhanced sampling

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Year: 2026
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0354130
Authors: Thomas Pigeon, Gabriel Stoltz, Tony Lelièvre
Institutions: IFP Énergies nouvelles, Centre National de la Recherche Scientifique, École nationale des ponts et chaussées, CERMICS, Institut Polytechnique de Paris
Language: English

Topic: Advanced Physical and Chemical Molecular Interactions
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences

Open Access status: closed
OpenAlex ID: W7225799722
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Cites: 45
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