- Why CMU?
- CMU Admissions
- Academic Programs
- CMU Research
- Electronic structure calculations based on density functional theory.
- Molecular modeling of nanoscale materials for applications in energy storage, molecular magnetism, electronic devices, drug delivery, and characterization methods.
Graduate student positionsPhD 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 .
July 2015 - Congratulations to our SAM student, Burak Ozdemir, 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 - 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
July 2015 - Check out the program for the 4th International Symposium on Energy Challenges and Mechanics - working on small scales in Aberdeen, UK! Link
March 2015 - Are you attending the ACS National meeting in Denver? Do not miss our ENFL symposium: Two-Dimensional Materials for Energy & Fuel. Link
September 2014 - Check out our paper "Gradient Copolymers of Thiophene and Pyrrole for Photovoltaics" in Computational Materials Science. This work is part of Mr. Ben Williams MS thesis. Link
August 2014 - Check out our paper "Scalable Holey Graphene Synthesis and Dense Electrode Fabrication toward High-Performance Ultracapacitors" in ACS Nano. Link
June 2014 - Thanks to the American Physical Society and the Committee on the Status of Women in Physics for their Woman of the Month award ! Link