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

Current research topic: a) electronic excitation and spin dynamics including many body interactions; b) polaronic conduction in complex oxides; c) catalytic reactions at solid/liquid interfaces. 

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.


Combined Theoretical and Experimental Investigations of Atomic Doping To Enhance Photon Absorption and Carrier Transport of LaFeO3 Photocathodes

Congratulations to Valentin, Tyler and Prof. Ping, for their recent publication in Chemistry of Materials! Perovskite-type lanthanum iron oxide, LaFeO3, is a p-type semiconductor that can achieve overall water splitting using visible light while maintaining photostability. These features make LaFeO3 a promising photocathode candidate for various photoelectrochemical cells. Currently, the photoelectrochemical performance of a LaFeO3...
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Dimensionality and Anisotropicity Dependence of Radiative Recombination in Nanostructured Phosphorene

Congratulations to Dr. Wu and Prof. Ping on their publication “Dimensionality and Anisotropicity Dependence of Radiative Recombination in Nanostructured  Phosphorene” in Journal of Materials Chemistry C as part of  Emerging investigators themed issue!   In this study we study the interplay of dimensionality and anisotropicity on optoelectronic properties and exciton dynamics in low dimensional semiconductors from first-principles,...
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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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The Ping Group Team Bio’s

Learn About Our Team