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Nature Computational Science
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January 4, 2024
Recent advances and outstanding challenges for machine learning interatomic potentials
Tsz Wai Ko, Shyue Ping Ong
Annual Review of Physical Chemistry
|
January 4, 2022
Neural Network Potentials: A Concise Overview of Methods
Emir Kocer, Tsz Wai Ko, Jörg Behler
Journal of Chemical Theory and Computation
|
June 8, 2023
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
Accounts of Chemical Research
|
January 29, 2021
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
Nature Communications
|
January 16, 2021
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
The Journal of Chemical Physics
|
March 25, 2025
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
Emir Kocer, Andreas Singraber, Jonas A Finkler, et al.
Nano Letters
|
August 15, 2025
Superionic Surface Li-Ion Transport in Carbonaceous Materials
Jianbin Zhou, Shen Wang, Chaoshan Wu, et al.
Chemical Science
|
February 6, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023
Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, et al.
Chemical Science
|
February 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023
Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Nature Computational Science
|
January 4, 2024
Recent advances and outstanding challenges for machine learning interatomic potentials
Tsz Wai Ko, Shyue Ping Ong
Annual Review of Physical Chemistry
|
January 4, 2022
Neural Network Potentials: A Concise Overview of Methods
Emir Kocer, Tsz Wai Ko, Jörg Behler
Journal of Chemical Theory and Computation
|
June 8, 2023
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
Accounts of Chemical Research
|
January 29, 2021
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
Nature Communications
|
January 16, 2021
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
The Journal of Chemical Physics
|
March 25, 2025
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
Emir Kocer, Andreas Singraber, Jonas A Finkler, et al.
Nano Letters
|
August 15, 2025
Superionic Surface Li-Ion Transport in Carbonaceous Materials
Jianbin Zhou, Shen Wang, Chaoshan Wu, et al.
Chemical Science
|
February 6, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023
Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, et al.
Chemical Science
|
February 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023
Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, et al.
Page
of 1