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Research Interests

The goal of my research is the study of magnetic materials and electronic transport 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 guidance for future experiments.

News

• Jul. 2008: Our paper Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties with V. Barone was published in Nano Letters. Check it out
• May 2008: Thanks Research Corporation for the Cottrell College Science Award !
• May 2008: Welcome Thuk (graduate student), Karl Lundquist and Patrick Bobek (summer undergaduate students)!
• Dec. 2007: One of our papers (Basis set dependence of NMR spin-spin couplings in density functional theory calculations: First row and hydrogen atoms, with G. E. Scuseria, J. R. Cheeseman, and M.J. Frisch) is in the Top-50 most cited articles as published in Chemical Physical Letters from 2003 to 2007.
Article
• Dec. 2007: Our paper in Phys. Rev. B (with O. Hod and G. E. Scuseria) Edge effects in finite elongated graphene nanoribbons was published Check it out.
• Sep. 2007: The cluster arrived! Check it out.
• Aug. 2007: Our paper in Nano Letters Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons (with O. Hod, V. Barone and G. E. Scuseria) was published. Check it out.

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