Search Results for author: Chiheb Ben Mahmoud

Found 2 papers, 0 papers with code

Predicting hot-electron free energies from ground-state data

no code implementations11 May 2022 Chiheb Ben Mahmoud, Federico Grasselli, Michele Ceriotti

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.

BIG-bench Machine Learning

Learning the electronic density of states in condensed matter

no code implementations21 Jun 2020 Chiheb Ben Mahmoud, Andrea Anelli, Gábor Csányi, Michele Ceriotti

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.

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