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Physical Review Letters
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June 26, 2026
Learning the Action for Long-Time-Step Simulations of Molecular Dynamics
Filippo Bigi, Johannes Spies, Michele Ceriotti
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
The Journal of Chemical Physics
|
August 8, 2023
Fast evaluation of spherical harmonics with sphericart
Filippo Bigi, Guillaume Fraux, Nicholas J Browning, et al.
The Journal of Chemical Physics
|
December 22, 2022
A smooth basis for atomistic machine learning
Filippo Bigi, Kevin K Huguenin-Dumittan, Michele Ceriotti, et al.
Faraday Discussions
|
September 25, 2024
Prediction rigidities for data-driven chemistry
Sanggyu Chong, Filippo Bigi, Federico Grasselli, et al.
The Journal of Chemical Physics
|
February 13, 2026
Resolving the body-order paradox of machine learning interatomic potentials
Sanggyu Chong, Tong Jiang, Michelangelo Domina, et al.
Digital Discovery
|
March 12, 2026
A universal machine learning model for the electronic density of states
Wei Bin How, Pol Febrer, Sanggyu Chong, et al.
Nature Communications
|
November 27, 2025
PET-MAD as a lightweight universal interatomic potential for advanced materials modeling
Arslan Mazitov, Filippo Bigi, Matthias Kellner, et al.
The Journal of Chemical Physics
|
February 11, 2026
metatensor and metatomic: Foundational libraries for interoperable atomistic machine learning
Filippo Bigi, Joseph W Abbott, Philip Loche, et al.
Faraday Discussions
|
December 18, 2024
Discovering synthesis targets: general discussion
Andy S Anker, Alán Aspuru-Guzik, Tim Bechtel, et al.
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Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Physical Review Letters
|
June 26, 2026
Learning the Action for Long-Time-Step Simulations of Molecular Dynamics
Filippo Bigi, Johannes Spies, Michele Ceriotti
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
The Journal of Chemical Physics
|
August 8, 2023
Fast evaluation of spherical harmonics with sphericart
Filippo Bigi, Guillaume Fraux, Nicholas J Browning, et al.
The Journal of Chemical Physics
|
December 22, 2022
A smooth basis for atomistic machine learning
Filippo Bigi, Kevin K Huguenin-Dumittan, Michele Ceriotti, et al.
Faraday Discussions
|
September 25, 2024
Prediction rigidities for data-driven chemistry
Sanggyu Chong, Filippo Bigi, Federico Grasselli, et al.
The Journal of Chemical Physics
|
February 13, 2026
Resolving the body-order paradox of machine learning interatomic potentials
Sanggyu Chong, Tong Jiang, Michelangelo Domina, et al.
Digital Discovery
|
March 12, 2026
A universal machine learning model for the electronic density of states
Wei Bin How, Pol Febrer, Sanggyu Chong, et al.
Nature Communications
|
November 27, 2025
PET-MAD as a lightweight universal interatomic potential for advanced materials modeling
Arslan Mazitov, Filippo Bigi, Matthias Kellner, et al.
The Journal of Chemical Physics
|
February 11, 2026
metatensor and metatomic: Foundational libraries for interoperable atomistic machine learning
Filippo Bigi, Joseph W Abbott, Philip Loche, et al.
Faraday Discussions
|
December 18, 2024
Discovering synthesis targets: general discussion
Andy S Anker, Alán Aspuru-Guzik, Tim Bechtel, et al.
Page
of 2