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Peralta, Juan



More about Juan Peralta

  • Scuseria Group, Department of Chemistry, Rice University, 2002-2007
  • Ph.D., Physics, University of Buenos Aires, 2002
  • M.Sc., Physics, University Buenos Aires, 1997
  • Electronic structure of magnetic materials. We use and develop computational tools for the calculation of magnetic properties using density functional theory. Target properties include exchange parameters, magnetic anisotropy, NMR, etc.
  • Electronic properties of nanomaterials. We model the electronic structure of a variety of nanoscale materials with the goal of understanding and predicting their properties.
  • The goal of our research is the study of magnetic materials and electronic phenomena at the nanometer scale, using first-principles computational tools. These are challenging and growing fields in which theoretical predictions play a fundamental role. The ultimate purpose will be to develop and explore novel theoretical and computational methods and use them to gain chemical and physical insight into the properties of new materials, as well as to provide a guidance for future experiments.

Research Projects

  • Explore the use of transition metals other than the commonly employed iron, manganese, and vanadium, and study how the magnetic transition states of single-molecule magnets change upon chemical functionalization and structural deformations.
  • Analyze how the properties and stability of magnetic nanoparticles depend on particle size and geometry.
  • Characterization of the conductance of single molecules, aiming to use them as interconnects, transistors, or switches.