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Nature Computational Science
|
January 4, 2024
Biasing energy surfaces towards the unknown
Simon Batzner
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 Computational Science
|
December 18, 2024
Predicting emergence of crystals from amorphous precursors with deep learning potentials
Muratahan Aykol, Amil Merchant, Simon Batzner, et al.
Nature
|
November 29, 2023
Scaling deep learning for materials discovery
Amil Merchant, Simon Batzner, Samuel S Schoenholz, et al.
Journal of Chemical Theory and Computation
|
March 11, 2022
Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
Lixin Sun, Jonathan Vandermause, Simon Batzner, 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
|
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.
Journal of the American Chemical Society
|
October 16, 2024
Efficient Exploratory Synthesis of Quaternary Cesium Chlorides Guided by In Silico Predictions
Akira Miura, Muratahan Aykol, Shumma Kozaki, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Nature Computational Science
|
January 4, 2024
Biasing energy surfaces towards the unknown
Simon Batzner
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 Computational Science
|
December 18, 2024
Predicting emergence of crystals from amorphous precursors with deep learning potentials
Muratahan Aykol, Amil Merchant, Simon Batzner, et al.
Nature
|
November 29, 2023
Scaling deep learning for materials discovery
Amil Merchant, Simon Batzner, Samuel S Schoenholz, et al.
Journal of Chemical Theory and Computation
|
March 11, 2022
Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
Lixin Sun, Jonathan Vandermause, Simon Batzner, 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
|
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.
Journal of the American Chemical Society
|
October 16, 2024
Efficient Exploratory Synthesis of Quaternary Cesium Chlorides Guided by In Silico Predictions
Akira Miura, Muratahan Aykol, Shumma Kozaki, et al.
Page
of 2