25 citations · 26 across the 5 of their papers we have counts for
3 papers · 1 filter
Machine-learned dynamics of surface polarons at reduced oxide surfaces
Luca Leoni, Cesare Franchini
Reducible oxides exhibit a rich interplay of electronic, structural, and chemical properties that underpins applications in catalysis, photovoltaics, batteries, and energy storage.…
Machine Learning Small Polaron Dynamics
Viktor C. Birschitzky, Luca Leoni, Michele Reticcioli +1
Polarons are crucial for charge transport in semiconductors, significantly impacting material properties and device performance. The dynamics of small polarons can be investigated…
Hydrogen Diffusion in Magnesium Using Machine Learning Potentials: a comparative study
Andrea Angeletti, Luca Leoni, Dario Massa +3
Understanding and accurately predicting hydrogen diffusion in materials is challenging due to the complex interactions between hydrogen defects and the crystal lattice. These inter…