30 citations · 38 across the 4 of their papers we have counts for
4 papers
Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe
Luka Benić, Federico Grasselli, Chiheb Ben Mahmoud +2
Understanding and controlling the charge density wave (CDW) phase diagram of transition metal dichalcogenides is a long-studied problem in condensed matter physics. However, due to…
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
Chiheb Ben Mahmoud, Zakariya El-Machachi, Krystian A. Gierczak +2
With the rapidly growing availability of machine-learned interatomic potential (MLIP) models for chemistry, much current research focuses on the development of generally applicable…
Graph-neural-network predictions of solid-state NMR parameters from spherical tensor decomposition
Chiheb Ben Mahmoud, Louise A. M. Rosset, Jonathan R. Yates +1
Nuclear magnetic resonance (NMR) is a powerful spectroscopic technique that is sensitive to the local atomic structure of matter. Computational predictions of NMR parameters can he…
Finite-temperature materials modeling from the quantum nuclei to the hot electrons regime
Nataliya Lopanitsyna, Chiheb Ben Mahmoud, Michele Ceriotti
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtai…