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Nature Communications
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June 15, 2023
Efficient interatomic descriptors for accurate machine learning force fields of extended molecules
Adil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, et al.
Nature Communications
|
May 21, 2024
Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors
Miguel Gallegos, Valentin Vassilev-Galindo, Igor Poltavsky, et al.
The Journal of Chemical Physics
|
March 24, 2019
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces
Huziel E Sauceda, Stefan Chmiela, Igor Poltavsky, et al.
Science Advances
|
May 17, 2017
Machine learning of accurate energy-conserving molecular force fields
Stefan Chmiela, Alexandre Tkatchenko, Huziel E Sauceda, et al.
The Journal of Chemical Physics
|
January 3, 2019
Stability of functionalized platform molecules on Au(111)
Torben Jasper-Tönnies, Igor Poltavsky, Sandra Ulrich, et al.
Physical Review Letters
|
April 23, 2016
Thermal and Electronic Fluctuations of Flexible Adsorbed Molecules: Azobenzene on Ag(111)
Reinhard J Maurer, Wei Liu, Igor Poltavsky, et al.
Chemical Reviews
|
March 11, 2021
Machine Learning Force Fields
Oliver T Unke, Stefan Chmiela, Huziel E Sauceda, 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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Search research articles
Search
Showing results (11-20 of 19) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 19 results.
Nature Communications
|
June 15, 2023
Efficient interatomic descriptors for accurate machine learning force fields of extended molecules
Adil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, et al.
Nature Communications
|
May 21, 2024
Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors
Miguel Gallegos, Valentin Vassilev-Galindo, Igor Poltavsky, et al.
The Journal of Chemical Physics
|
March 24, 2019
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces
Huziel E Sauceda, Stefan Chmiela, Igor Poltavsky, et al.
Science Advances
|
May 17, 2017
Machine learning of accurate energy-conserving molecular force fields
Stefan Chmiela, Alexandre Tkatchenko, Huziel E Sauceda, et al.
The Journal of Chemical Physics
|
January 3, 2019
Stability of functionalized platform molecules on Au(111)
Torben Jasper-Tönnies, Igor Poltavsky, Sandra Ulrich, et al.
Physical Review Letters
|
April 23, 2016
Thermal and Electronic Fluctuations of Flexible Adsorbed Molecules: Azobenzene on Ag(111)
Reinhard J Maurer, Wei Liu, Igor Poltavsky, et al.
Chemical Reviews
|
March 11, 2021
Machine Learning Force Fields
Oliver T Unke, Stefan Chmiela, Huziel E Sauceda, 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 2