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The Journal of Chemical Physics
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October 13, 2025
On the reproducibility of free energy surfaces in machine-learned collective variable spaces
Florian M Dietrich, Matteo Salvalaglio
The Journal of Chemical Physics
|
March 12, 2026
Committor-regularized learning of differentiable collective variables from non-differentiable structural descriptors
Florian M Dietrich, Michael A Bellucci, Matteo Salvalaglio
The Journal of Chemical Physics
|
December 2, 2021
Training algorithm matters for the performance of neural network potential: A case study of Adam and the Kalman filter optimizers
Yunqi Shao, Florian M Dietrich, Carl Nettelblad, et al.
Journal of Chemical Theory and Computation
|
October 25, 2023
Machine Learning Nucleation Collective Variables with Graph Neural Networks
Florian M Dietrich, Xavier R Advincula, Gianpaolo Gobbo, et al.
Journal of the American Chemical Society
|
May 23, 2025
Guanine Crystallization by Particle Attachment
Shashanka S Indri, Florian M Dietrich, Avital Wagner, et al.
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Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
October 13, 2025
On the reproducibility of free energy surfaces in machine-learned collective variable spaces
Florian M Dietrich, Matteo Salvalaglio
The Journal of Chemical Physics
|
March 12, 2026
Committor-regularized learning of differentiable collective variables from non-differentiable structural descriptors
Florian M Dietrich, Michael A Bellucci, Matteo Salvalaglio
The Journal of Chemical Physics
|
December 2, 2021
Training algorithm matters for the performance of neural network potential: A case study of Adam and the Kalman filter optimizers
Yunqi Shao, Florian M Dietrich, Carl Nettelblad, et al.
Journal of Chemical Theory and Computation
|
October 25, 2023
Machine Learning Nucleation Collective Variables with Graph Neural Networks
Florian M Dietrich, Xavier R Advincula, Gianpaolo Gobbo, et al.
Journal of the American Chemical Society
|
May 23, 2025
Guanine Crystallization by Particle Attachment
Shashanka S Indri, Florian M Dietrich, Avital Wagner, et al.
Page
of 1