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Zakariya El-Machachi

Showing results (1-10 of 7) with videos related to

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Chemical Science|December 22, 2022
Exploring the configurational space of amorphous graphene with machine-learned atomic energiesZakariya El-Machachi, Mark Wilson, Volker L Deringer
Chemical Communications (Cambridge, England)|June 26, 2025
Mechanical properties of graphene oxide from machine-learning-driven simulationsZakariya 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 OxideZakariya El-Machachi, Damyan Frantzov, A Nijamudheen, et al.
Nature Communications|February 18, 2026
Extending the range of graph neural networks with global encodingsAlessandro Caruso, Jacopo Venturin, Lorenzo Giambagli, et al.
Digital Discovery|October 23, 2025
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentialsChiheb 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 CASTEPTamás K Stenczel, Zakariya El-Machachi, Guoda Liepuoniute, et al.
The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Chemical Science|December 22, 2022
Exploring the configurational space of amorphous graphene with machine-learned atomic energiesZakariya El-Machachi, Mark Wilson, Volker L Deringer
Chemical Communications (Cambridge, England)|June 26, 2025
Mechanical properties of graphene oxide from machine-learning-driven simulationsZakariya 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 OxideZakariya El-Machachi, Damyan Frantzov, A Nijamudheen, et al.
Nature Communications|February 18, 2026
Extending the range of graph neural networks with global encodingsAlessandro Caruso, Jacopo Venturin, Lorenzo Giambagli, et al.
Digital Discovery|October 23, 2025
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentialsChiheb 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 CASTEPTamás K Stenczel, Zakariya El-Machachi, Guoda Liepuoniute, et al.
The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.
Pageof 1