2 papers
cond-mat.mtrl-sci2026
SALTED: a symmetry-adapted machine-learning program for predicting electron-densities in molecules and materials
Zekun Lou, Alan M. Lewis, Théophane Bernhard +5
SALTED provides an open-source Python package for machine learning the quantum-mechanical electron density, , in molecular and condensed-phase systems based on input…
cond-mat.mtrl-sci2026
Exact Theory of Fermi-Energy Response at Metallic Interfaces
Théophane Bernhard, Andrea Grisafi
The response of the Fermi energy to external perturbations governs key physical observables at metallic interfaces. Although this response admits a local formulation in terms of th…