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Nature Computational Science
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June 12, 2024
Data as the next challenge in atomistic machine learning
Chiheb Ben Mahmoud, John L A Gardner, Volker L Deringer
Journal of Chemical Theory and Computation
|
August 18, 2025
Machine Learning Model for Efficient Nonthermal Tuning of the Charge Density Wave in Monolayer NbSe<sub>2</sub>
Luka Benić, Federico Grasselli, Chiheb Ben Mahmoud, et al.
The Journal of Chemical Physics
|
July 9, 2025
Graph-neural-network predictions of solid-state NMR parameters in silica from spherical tensor decomposition
Chiheb Ben Mahmoud, Louise A M Rosset, Jonathan R Yates, et al.
Journal of Chemical Theory and Computation
|
November 10, 2023
Robustness of Local Predictions in Atomistic Machine Learning Models
Sanggyu Chong, Federico Grasselli, Chiheb Ben Mahmoud, et al.
Digital Discovery
|
October 23, 2025
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
Chiheb Ben Mahmoud, Zakariya El-Machachi, Krystian A Gierczak, et al.
Nature
|
January 7, 2021
Origins of structural and electronic transitions in disordered silicon
Volker L Deringer, Noam Bernstein, Gábor Csányi, et al.
Faraday Discussions
|
December 13, 2024
Discovering structure-property correlations: general discussion
Andy S Anker, Alán Aspuru-Guzik, Chiheb Ben Mahmoud, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Nature Computational Science
|
June 12, 2024
Data as the next challenge in atomistic machine learning
Chiheb Ben Mahmoud, John L A Gardner, Volker L Deringer
Journal of Chemical Theory and Computation
|
August 18, 2025
Machine Learning Model for Efficient Nonthermal Tuning of the Charge Density Wave in Monolayer NbSe<sub>2</sub>
Luka Benić, Federico Grasselli, Chiheb Ben Mahmoud, et al.
The Journal of Chemical Physics
|
July 9, 2025
Graph-neural-network predictions of solid-state NMR parameters in silica from spherical tensor decomposition
Chiheb Ben Mahmoud, Louise A M Rosset, Jonathan R Yates, et al.
Journal of Chemical Theory and Computation
|
November 10, 2023
Robustness of Local Predictions in Atomistic Machine Learning Models
Sanggyu Chong, Federico Grasselli, Chiheb Ben Mahmoud, et al.
Digital Discovery
|
October 23, 2025
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
Chiheb Ben Mahmoud, Zakariya El-Machachi, Krystian A Gierczak, et al.
Nature
|
January 7, 2021
Origins of structural and electronic transitions in disordered silicon
Volker L Deringer, Noam Bernstein, Gábor Csányi, et al.
Faraday Discussions
|
December 13, 2024
Discovering structure-property correlations: general discussion
Andy S Anker, Alán Aspuru-Guzik, Chiheb Ben Mahmoud, et al.
Page
of 1