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The Journal of Chemical Physics
|
April 27, 2023
Fast uncertainty estimates in deep learning interatomic potentials
Albert Zhu, Simon Batzner, Albert Musaelian, et al.
Nature Communications
|
February 3, 2023
Learning local equivariant representations for large-scale atomistic dynamics
Albert Musaelian, Simon Batzner, Anders Johansson, et al.
ACS Omega
|
March 11, 2024
Accurate Surface and Finite-Temperature Bulk Properties of Lithium Metal at Large Scales Using Machine Learning Interaction Potentials
Mgcini Keith Phuthi, Archie Mingze Yao, Simon Batzner, et al.
Nature Communications
|
April 29, 2025
Unified differentiable learning of electric response
Stefano Falletta, Andrea Cepellotti, Anders Johansson, et al.
Nature Communications
|
May 4, 2022
E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
Simon Batzner, Albert Musaelian, Lixin Sun, et al.
Nature Machine Intelligence
|
January 29, 2025
The design space of E(3)-equivariant atom-centred interatomic potentials
Ilyes Batatia, Simon Batzner, Dávid Péter Kovács, et al.
The Journal of Physical Chemistry Letters
|
July 18, 2024
Transferability and Accuracy of Ionic Liquid Simulations with Equivariant Machine Learning Interatomic Potentials
Zachary A H Goodwin, Malia B Wenny, Julia H Yang, et al.
Journal of the American Chemical Society
|
August 15, 2020
Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics
Jin Soo Lim, Jonathan Vandermause, Matthijs A van Spronsen, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
April 27, 2023
Fast uncertainty estimates in deep learning interatomic potentials
Albert Zhu, Simon Batzner, Albert Musaelian, et al.
Nature Communications
|
February 3, 2023
Learning local equivariant representations for large-scale atomistic dynamics
Albert Musaelian, Simon Batzner, Anders Johansson, et al.
ACS Omega
|
March 11, 2024
Accurate Surface and Finite-Temperature Bulk Properties of Lithium Metal at Large Scales Using Machine Learning Interaction Potentials
Mgcini Keith Phuthi, Archie Mingze Yao, Simon Batzner, et al.
Nature Communications
|
April 29, 2025
Unified differentiable learning of electric response
Stefano Falletta, Andrea Cepellotti, Anders Johansson, et al.
Nature Communications
|
May 4, 2022
E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
Simon Batzner, Albert Musaelian, Lixin Sun, et al.
Nature Machine Intelligence
|
January 29, 2025
The design space of E(3)-equivariant atom-centred interatomic potentials
Ilyes Batatia, Simon Batzner, Dávid Péter Kovács, et al.
The Journal of Physical Chemistry Letters
|
July 18, 2024
Transferability and Accuracy of Ionic Liquid Simulations with Equivariant Machine Learning Interatomic Potentials
Zachary A H Goodwin, Malia B Wenny, Julia H Yang, et al.
Journal of the American Chemical Society
|
August 15, 2020
Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics
Jin Soo Lim, Jonathan Vandermause, Matthijs A van Spronsen, et al.
Page
of 1