Publications by authors named "Timothee Devergne"

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Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis.
Alea Miako Tokita, Timothée Devergne, A Marco Saitta, Jörg Behler

J Chem Phys· May 2025

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Slow dynamical modes from static averages.
Timothée Devergne, Vladimir Kostic, Massimiliano Pontil, Michele Parrinello

J Chem Phys· March 2025

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Efficient machine learning approach for accurate free-energy profiles and kinetic rates.
Timothée Devergne, Leon Huet, Fabio Pietrucci, A Marco Saitta

Phys Rev E· September 2024

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A New Route to the Prebiotic Synthesis of Glycine via -Based Machine Learning Calculations.
Léon Huet, Timothée Devergne, Théo Magrino, A Marco Saitta

J Phys Chem Lett· August 2024

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Combining Machine Learning Approaches and Accurate Enhanced Sampling Methods for Prebiotic Chemical Reactions in Solution.
Timothée Devergne, Théo Magrino, Fabio Pietrucci, A Marco Saitta

J Chem Theory Comput· September 2022

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