Person
Chiheb Ben Mahmoud
This person is no longer with EPFL
Related publications (5)
Machine-learning the electronic density of states: electronic properties without quantum mechanics
The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...
EPFL2023Robustness of Local Predictions in Atomistic Machine Learning Models
Michele Ceriotti, Federico Grasselli, Sanggyu Chong, Chiheb Ben Mahmoud
Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is convenient from a computational perspective, enabling large-scale ML-driven si ...
Washington2023Predicting hot-electron free energies from ground-state data
Michele Ceriotti, Federico Grasselli, Chiheb Ben Mahmoud
Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation temperature. This disregards the effect of thermally excited electrons, that i ...
AMER PHYSICAL SOC2022Finite-temperature materials modeling from the quantum nuclei to the hot electron regime
Michele Ceriotti, Chiheb Ben Mahmoud, Nataliya Lopanitsyna
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 obtained from experiments. Quantitative predictions, however, are usually hindere ...
2021Learning the electronic density of states in condensed matter
Michele Ceriotti, Andrea Anelli, Chiheb Ben Mahmoud
The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...
AMER PHYSICAL SOC2020