Despite extensive studies of transition-metal finite-size particles, our atomistic understanding of the physical and chemical properties of transition-metal finite-size particles is still not satisfactory, which affects directly our atomistic understanding of the success or failure of a nanocatalysts. In this talk, I will revise the most important results obtained in our group for the physical and chemical properties of transition-metal nanoclusters and the challenges to reach those results, in particular, the efforts to address ligand and temperature effects on the structural properties, as well as an ab initio atomistic understanding of the potential energy surface of gold clusters.

Prof. Juarez L. F. Da Silva graduated in Physics (Bachelor) from the Federal University of Goiás, Brazil (1991-1994), he obtained Master of Science in Solid State Physics at the Physics Institute of the University of São Paulo, Brazil (1995-1997), and Doctorate in Natural Sciences from the Technical University of Berlin and the Fritz-Haber Institute of the Max-Planck Society, Germany (1998-2002). Postdoctoral positions  in solid State Physics Institute of Juelich Research Center, Germany (2002-2004) and Chemistry Institute of the Humboldt University of Berlin, Germany (2004-2006). Research Associate in the Basic Science Center of the National Renewable Energy Laboratory in Golden, United States (2006-2009). After 11 years working abroad, he returned to Brazil in 2009, where he was Young Researcher - FAPESP at the São Carlos Institute of Physics, University of São Paulo, Brazil (2009-2012). Since May 18, 2012, as faculty member at the University of São Paulo, São Carlos Institute of Chemistry, Brazil. In 2014 he founded the Quantum Theory of Nanomaterials group at the Chemical Institute of São Carlos. He works in the area of Computational Materials Science using first principles methods (ab initio) based on Density Functional Theory for the study of metal surfaces, molecular adsorption, oxides, semiconductors , clusters, nanoparticles, etc., and the development of algorithms for optimizing the overall structure of the nanoparticles.