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The Journal of Chemical Physics
|
March 25, 2025
Slow dynamical modes from static averages
Timothée Devergne, Vladimir Kostic, Massimiliano Pontil, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 28, 2026
The seeds of the future are in the present: A blind exploration of metastable states
Timothée Devergne, Vladimir Kostic, Massimiliano Pontil, et al.
The Journal of Physical Chemistry Letters
|
August 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, et al.
Physical Review. E
|
October 19, 2024
Efficient machine learning approach for accurate free-energy profiles and kinetic rates
Timothée Devergne, Leon Huet, Fabio Pietrucci, et al.
Journal of Chemical Theory and Computation
|
August 5, 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, et al.
The Journal of Chemical Physics
|
May 6, 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, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
March 25, 2025
Slow dynamical modes from static averages
Timothée Devergne, Vladimir Kostic, Massimiliano Pontil, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 28, 2026
The seeds of the future are in the present: A blind exploration of metastable states
Timothée Devergne, Vladimir Kostic, Massimiliano Pontil, et al.
The Journal of Physical Chemistry Letters
|
August 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, et al.
Physical Review. E
|
October 19, 2024
Efficient machine learning approach for accurate free-energy profiles and kinetic rates
Timothée Devergne, Leon Huet, Fabio Pietrucci, et al.
Journal of Chemical Theory and Computation
|
August 5, 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, et al.
The Journal of Chemical Physics
|
May 6, 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, et al.
Page
of 1