2 papers
cond-mat.mtrl-sci2026
GQD-AdsNet: Graph Neural Networks Unlock Rapid Exploration of Transition Metal Adsorption on Graphene Quantum Dots
Lara Goncebat, Rodrigo Echeveste, MatÃas Gerard +3
In recent years, interest in single-atom catalysts supported on carbon-based structures has grown considerably due to their high catalytic activity and efficient uses of metal atom…
cs.LG2025
A Hybrid Supervised and Self-Supervised Graph Neural Network for Edge-Centric Applications
Eugenio Borzone, Leandro Di Persia, Matias Gerard
This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships a…