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Timothée Devergne

5PUBLICATIONS

8CO-AUTHORS

Statistical mechanics in chemistryComputational chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Process control and simulation

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Publications (5)

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|Jan 28, 2026

The seeds of the future are in the present: A blind exploration of metastable states.

Timothée Devergne, Vladimir Kostic, Massimiliano Pontil

|May 06, 2025

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

|Mar 25, 2025

Slow dynamical modes from static averages.

Timothée Devergne, Vladimir Kostic, Massimiliano Pontil

|Aug 19, 2024

A New Route to the Prebiotic Synthesis of Glycine via <i>Ab Initio</i>-Based Machine Learning Calculations.

Léon Huet, Timothée Devergne, Théo Magrino

|Aug 05, 2022

Combining Machine Learning Approaches and Accurate <i>Ab Initio</i> Enhanced Sampling Methods for Prebiotic Chemical Reactions in Solution.

Timothée Devergne, Théo Magrino, Fabio Pietrucci

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Frequent Collaborators

2 joint publications

Théo Magrino

2 joint publications

Michele Parrinello

1 joint publications

Fabio Pietrucci

1 joint publications

Léon Huet

1 joint publications

Alea Miako Tokita

1 joint publications

A Marco Saitta

1 joint publications

Jörg Behler

1 joint publications

Vladimir Kostic

Frequent Collaborators

2 joint publications

Théo Magrino

2 joint publications

Michele Parrinello

1 joint publications

Fabio Pietrucci

1 joint publications

Léon Huet

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