Frederik Tielens

GQD-AdsNet: Graph Neural Networks Unlock Rapid Exploration of Transition Metal Adsorption on Graphene Quantum Dots

Lara Goncebat, Rodrigo Echeveste, Matías Gerard, Frederik Tielens, Gustavo Belletti, Paola Quaino

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 atoms. However, the design and characterization of these materials through first-principles calculations…Read more