What We Do

We develop and employ theoretical and computational methods including Density Functional Theory, Many Body Perturbation Theory (GW/BSE) and ab initio Molecular Dynamics, to understand and predict realistic 

complex materials’ properties including optical, electronic transport and catalytic properties at the atomistic levels, for energy conversion and quantum information applications. 

Learn About Our Focus

Our Research

Learn about our research and our methods. We provide charts, graphs, and descriptions, and resources to papers that support our theories and approaches.

Resource Our Publications


Resource our publications and documentation. Publications are presented in chronological order to view the evolution of our research and theoretical developments.

Educational Materials and Assets

Teaching Resources

Teaching materials and guidelines for students and interested parties. Various lessons plans and educational resources. Additional support for ongoing classes will be posted here.


ARCS Scholarship

Congratulations to Tyler for being awarded the ARCS Scholarship! The ARCS foundation (Achievement Rewards for College Scientists) is a non-profit organization that is administered by a group of women who financially support graduates and undergraduates of the United States’s colleges and universities. They provide scholarships and awards to create new discoveries in the field of...
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Ruthenium atomically dispersed in carbon outperforms platinum toward hydrogen evolution in alkaline media

Congratulations to Bingzhang and Prof. Ping, as well as Feng Wu and Tyler Smart, for their work in collaboration with Prof. Shaowei Chen on carbon nanowires co-doped with ruthenium and nitrogen which has just been published in Nature Communications. This work develops a unique system which has the unprecedented ability to function as an effective...
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Welcome Dr. Junqing Xu!

The Ping Group gladly welcomes postdoctoral researcher Dr. Junqing Xu! Learn More
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Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials

Capping off 2018, the group’s paper “Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials” has been published in Physical Review Materials! Congratulations to Tyler, Feng, and Prof. Ping! Defects in two-dimensional (2D) materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their...
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The Ping Group Team Bio’s

Learn About Our Team