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The Journal of Chemical Physics
|
November 30, 2019
Incorporating long-range physics in atomic-scale machine learning
Andrea Grisafi, Michele Ceriotti
The Journal of Chemical Physics
|
July 10, 2024
Accelerating QM/MM simulations of electrochemical interfaces through machine learning of electronic charge densities
Andrea Grisafi, Mathieu Salanne
Chemical Science
|
June 24, 2021
Multi-scale approach for the prediction of atomic scale properties
Andrea Grisafi, Jigyasa Nigam, Michele Ceriotti
Chimia
|
April 26, 2020
Learning (from) the Electron Density: Transferability, Conformational and Chemical Diversity
Alberto Fabrizio, Ksenia Briling, Andrea Grisafi, et al.
Physical Review Letters
|
February 6, 2018
Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems
Andrea Grisafi, David M Wilkins, Gábor Csányi, et al.
Journal of Chemical Theory and Computation
|
October 20, 2021
Learning Electron Densities in the Condensed Phase
Alan M Lewis, Andrea Grisafi, Michele Ceriotti, et al.
Journal of Chemical Theory and Computation
|
December 1, 2022
Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density
Andrea Grisafi, Alan M Lewis, Mariana Rossi, et al.
Chemical Science
|
February 15, 2020
Electron density learning of non-covalent systems
Alberto Fabrizio, Andrea Grisafi, Benjamin Meyer, et al.
The Journal of Physical Chemistry Letters
|
February 24, 2025
Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model
Mariana Rossi, Kevin Rossi, Alan M Lewis, et al.
Chemical Reviews
|
July 26, 2021
Physics-Inspired Structural Representations for Molecules and Materials
Felix Musil, Andrea Grisafi, Albert P Bartók, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
November 30, 2019
Incorporating long-range physics in atomic-scale machine learning
Andrea Grisafi, Michele Ceriotti
The Journal of Chemical Physics
|
July 10, 2024
Accelerating QM/MM simulations of electrochemical interfaces through machine learning of electronic charge densities
Andrea Grisafi, Mathieu Salanne
Chemical Science
|
June 24, 2021
Multi-scale approach for the prediction of atomic scale properties
Andrea Grisafi, Jigyasa Nigam, Michele Ceriotti
Chimia
|
April 26, 2020
Learning (from) the Electron Density: Transferability, Conformational and Chemical Diversity
Alberto Fabrizio, Ksenia Briling, Andrea Grisafi, et al.
Physical Review Letters
|
February 6, 2018
Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems
Andrea Grisafi, David M Wilkins, Gábor Csányi, et al.
Journal of Chemical Theory and Computation
|
October 20, 2021
Learning Electron Densities in the Condensed Phase
Alan M Lewis, Andrea Grisafi, Michele Ceriotti, et al.
Journal of Chemical Theory and Computation
|
December 1, 2022
Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density
Andrea Grisafi, Alan M Lewis, Mariana Rossi, et al.
Chemical Science
|
February 15, 2020
Electron density learning of non-covalent systems
Alberto Fabrizio, Andrea Grisafi, Benjamin Meyer, et al.
The Journal of Physical Chemistry Letters
|
February 24, 2025
Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model
Mariana Rossi, Kevin Rossi, Alan M Lewis, et al.
Chemical Reviews
|
July 26, 2021
Physics-Inspired Structural Representations for Molecules and Materials
Felix Musil, Andrea Grisafi, Albert P Bartók, et al.
Page
of 2