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Chemical Science
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December 22, 2022
Exploring the configurational space of amorphous graphene with machine-learned atomic energies
Zakariya El-Machachi, Mark Wilson, Volker L Deringer
Chemical Communications (Cambridge, England)
|
June 26, 2025
Mechanical properties of graphene oxide from machine-learning-driven simulations
Zakariya El-Machachi, Bowen Cheng, Volker L Deringer
Angewandte Chemie (International Ed. in English)
|
August 12, 2024
Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
Zakariya El-Machachi, Damyan Frantzov, A Nijamudheen, et al.
Nature Communications
|
February 18, 2026
Extending the range of graph neural networks with global encodings
Alessandro Caruso, Jacopo Venturin, Lorenzo Giambagli, 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.
The Journal of Chemical Physics
|
July 27, 2023
Machine-learned acceleration for molecular dynamics in CASTEP
Tamás K Stenczel, Zakariya El-Machachi, Guoda Liepuoniute, et al.
The Journal of Chemical Physics
|
November 13, 2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang, et al.
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Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Chemical Science
|
December 22, 2022
Exploring the configurational space of amorphous graphene with machine-learned atomic energies
Zakariya El-Machachi, Mark Wilson, Volker L Deringer
Chemical Communications (Cambridge, England)
|
June 26, 2025
Mechanical properties of graphene oxide from machine-learning-driven simulations
Zakariya El-Machachi, Bowen Cheng, Volker L Deringer
Angewandte Chemie (International Ed. in English)
|
August 12, 2024
Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
Zakariya El-Machachi, Damyan Frantzov, A Nijamudheen, et al.
Nature Communications
|
February 18, 2026
Extending the range of graph neural networks with global encodings
Alessandro Caruso, Jacopo Venturin, Lorenzo Giambagli, 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.
The Journal of Chemical Physics
|
July 27, 2023
Machine-learned acceleration for molecular dynamics in CASTEP
Tamás K Stenczel, Zakariya El-Machachi, Guoda Liepuoniute, et al.
The Journal of Chemical Physics
|
November 13, 2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang, et al.
Page
of 1