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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

• Oct 2009: Our paper on Lithium adsorption on graphene nanoribbons (with C. Uthaisar and V. Barone) was accepted in J. Appl. Phys. (Check it out).
• Jun 2009: Thanks NSF-DMR for the 3-year support!
• May 2009: Thuk and Prabath presented posters in the ACS-CERMACS 2009 in Cleveland.
• May 2009: Welcome Jordan (graduate student), Phil and Mat (summer undergaduate students)!
• Mar. 2009: Juan received the Provost's award for outstanding research and creative activity. Thanks for all the support!
• Oct. 2008: Thuk presented a poster in the ACS regional meeting.Check it out.
• Oct. 2008: Our paper Magnetic Exchange Couplings from Noncollinear Spin Density Functional Perturbation Theory (with V. Barone) was published in J. Chem. Phys. Check it out.
• Aug. 2008: Our paper Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons (with O. Hod, V. Barone and G. E. Scuseria) made it to the Hot Papers list of Nano Letters (number 13). Check it out. Vero's paper made it as number 8!! Check it out.
• 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 !

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