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The Journal of Chemical Physics
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July 26, 2024
Wigner kernels: Body-ordered equivariant machine learning without a basis
Filippo Bigi, Sergey N Pozdnyakov, Michele Ceriotti
Open Research Europe
|
August 30, 2023
Local invertibility and sensitivity of atomic structure-feature mappings
Sergey N Pozdnyakov, Liwei Zhang, Christoph Ortner, et al.
The Journal of Chemical Physics
|
November 8, 2022
Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)]
Sergey N Pozdnyakov, Michael J Willatt, Albert P Bartók, et al.
Physical Review Letters
|
October 30, 2020
Incompleteness of Atomic Structure Representations
Sergey N Pozdnyakov, Michael J Willatt, Albert P Bartók, et al.
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Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 26, 2024
Wigner kernels: Body-ordered equivariant machine learning without a basis
Filippo Bigi, Sergey N Pozdnyakov, Michele Ceriotti
Open Research Europe
|
August 30, 2023
Local invertibility and sensitivity of atomic structure-feature mappings
Sergey N Pozdnyakov, Liwei Zhang, Christoph Ortner, et al.
The Journal of Chemical Physics
|
November 8, 2022
Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)]
Sergey N Pozdnyakov, Michael J Willatt, Albert P Bartók, et al.
Physical Review Letters
|
October 30, 2020
Incompleteness of Atomic Structure Representations
Sergey N Pozdnyakov, Michael J Willatt, Albert P Bartók, et al.
Page
of 1