9 papers
A universal signature in the melting of metallic nanoparticles
L. Delgado-Callico, K. Rossi, R. Pinto-Miles +2
Characterizing the melting behaviour of monometallic nanoparticles is a great challenge from both the experimental and the theoretical point of view. To this end, we disclose a uni…
On Machine Learning Force Fields for Metallic Nanoparticles
Claudio Zeni, Kevin Rossi, Aldo Glielmo +1
Machine learning algorithms have recently emerged as a tool to generate force fields which display accuracies approaching the ones of the ab-initio calculations they are trained on…
A genomic characterization of metallic nanoparticles
Kevin Rossi, Gian Giacomo Asara, Francesca Baletto
With a focus on platinum nanoparticles of different sizes (diameter of 1-9 nm) and shapes, we sequence their geometrical genome by recording the relative occurrence of all the non…
Ethanol chemisorption on core-shell Pt-nanoparticles: an ab-initio study
Vagner A. Rigo, Caetano R. Miranda, Francesca Baletto
By means of ab-initio calculations, we have investigated the chemisorption paroperties of ethanol onto segregating binary nanoalloys. We select nanostructures with icosahedral shap…
Building machine learning force fields for nanoclusters
Claudio Zeni, Kevin Rossi, Aldo Glielmo +4
We assess Gaussian process (GP) regression as a technique to model interatomic forces in metal nanoclusters by analysing the performance of 2-body, 3-body and many-body kernel func…
Size dependent rearrangements in monometallic clusters
Kevin Rossi, YeeYee Soon, Luca Pavan +1
Morphology and its stability are essential features to address physicochemical properties of metallic nanoparticles. By means of Molecular Dynamics based simulations we show a comp…