3 papers
cond-mat.mes-hall2017
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…
physics.comp-ph2015
Metallic nanoparticles meet Metadynamics
Luca Pavan, Kevin Rossi, Francesca Baletto
We show how standard Metadynamics coupled with classical Molecular Dynamics can be successfully ap- plied to sample the configurational and free energy space of metallic and bimeta…
cond-mat.mes-hall2015
Structural stability and uniformity of magnetic Pt13 nanoparticles in NaY zeolite
Luca Pavan, Cono Di Paola, Francesca Baletto
Based on first-principles simulations, the structural stability and magnetic uniformity of Pt13 nanoparticles encapsulated in a NaY zeolite were investigated. Among 50 stable isome…