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The Journal of Physical Chemistry. B
|
July 6, 2026
More Converged, Less Accurate? Reassessing Standard Choices for Ab Initio Water Using Machine Learning Potentials
Hubert Beck, Ondrej Marsalek
Journal of Chemical Theory and Computation
|
September 25, 2023
Reducing the Cost of Neural Network Potential Generation for Reactive Molecular Systems
Krystof Brezina, Hubert Beck, Ondrej Marsalek
The Journal of Chemical Physics
|
December 15, 2025
Multi-head committees enable direct uncertainty prediction for atomistic foundation models
Hubert Beck, Pavol Simko, Lars L Schaaf, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
July 6, 2026
More Converged, Less Accurate? Reassessing Standard Choices for Ab Initio Water Using Machine Learning Potentials
Hubert Beck, Ondrej Marsalek
Journal of Chemical Theory and Computation
|
September 25, 2023
Reducing the Cost of Neural Network Potential Generation for Reactive Molecular Systems
Krystof Brezina, Hubert Beck, Ondrej Marsalek
The Journal of Chemical Physics
|
December 15, 2025
Multi-head committees enable direct uncertainty prediction for atomistic foundation models
Hubert Beck, Pavol Simko, Lars L Schaaf, et al.
Page
of 1