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Zakariya El‐Machachi

Freie Universitat Berlin

5H-index
18Paper Count
387Citation Count
Published Papers 7
Publication Date
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Extending the range of graph neural networks with global encodings
errNature Communications
IF15.7
err2026-02-18
err0
errOAAI
errAlessandro Caruso; Jacopo Venturin; Lorenzo Giambagli; Edoardo Rolando; Zakariya El-Machachi; Frank Noé; Cecilia Clementi
errShare
errSave
Breaking the Barriers of Molecular Dynamics With Deep-Learning: Opportunities, Pitfalls, and How to Navigate Them
errWIREs Computational Molecular Science
IF0
err2026-01-23
err0
errOAAI
errKlara Bonneau; Aldo S. Pasos-Trejo; Michael Plainer; Luca Sagresti; Jacopo Venturin; Iryna Zaporozhets; Alessandro Caruso; Edoardo Rolando; Andrea Guljas; Leon Klein; Maximilian Schebek; Filippo Albani; Raquel López-Ríos de Castro; Zakariya El Machachi; Lorenzo Giambagli; Cecilia Clementi
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Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
errDigital Discovery
IF5.6
err2025-09-30
err0
errOAAI
errChiheb Ben Mahmoud; Zakariya El-Machachi; Krystian A. Gierczak; John L. A. Gardner; Volker L. Deringer
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errSave
Mechanical properties of graphene oxide from machine-learning-driven simulations
errChem. Commun.
IF4.2
err2025-07-30
err0
errOAAI
errZakariya El-Machachi; Bowen Cheng; Volker L. Deringer
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errSave
Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-11-13
err1
errOAAI
errEl-Machachi, Zakariya; Frantzov, Damyan; Nijamudheen, A.; Zarrouk, Tigany; Caro, Miguel A.; Deringer, Volker L.
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errSave
Machine-learned acceleration for molecular dynamics in CASTEP
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-27
err11
errOAAI
errStenczel, Tamas K.; El-Machachi, Zakariya; Liepuoniute, Guoda; Morrow, Joe D.; Bartok, Albert P.; Probert, Matt I. J.; Csanyi, Gabor; Deringer, Volker L.
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Exploring the configurational space of amorphous graphene with machine-learned atomic energies
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err13
errOAAI
errEl-Machachi, Zakariya; Wilson, Mark; Deringer, Volker L.
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
G
Gábor Cśanyi
H-index: 72 · Papers: 318
F
Frank Noé
H-index: 70 · Papers: 405
C
Cecilia Clementi
H-index: 55 · Papers: 179
V
Volker L. Deringer
H-index: 53 · Papers: 284
M
Mark Wilson
H-index: 44 · Papers: 241
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