- Electronic structure calculations based on density functional theory.
- Molecular modeling of nanoscale materials for applications in energy
storage, molecular magnetism, electronic devices, and characterization methods.
Graduate student positions:
PhD and MS positions are available in our group to work on computational research related to layered materials for energy applications. For more information on how to apply, follow this link .
October 2015 - Congratulations to our SAM student, Burak Ozdemir, for his work on K-intercalation in graphitic materials! Our paper "Potassium Ion Batteries with Graphitic Materials" done in collaboration with Prof. Hu's group at U. of Maryland published in Nano Letters. Link
July 2015 - Congratulations to Burak for his recent work on layered BC3! Our paper "Structural and Electronic Properties of Crystalline Graphite-like BC3" has been accepted in Computational Materials Science. Link
July 2015 - July 2015 - Congratulations to our SAM students, Rajendra and Burak, for their excellent work towards new materials for battery applications! Check our paper just published in the Journal of Physical Chemistry Letters: "Hexagonal BC3: A Robust Electrode Material for Li, Na, and K Ion Batteries". Link