Strong electron hole interactions in Si nanowire after light absorption and electronic excitation Excitons in Si Nanowire Strong dimensionality and anisotropy dependence of exciton lifetime in phosphorene Exciton Recombination Lifetime Understanding charge transfer at the photoanode/catalyst interface at the presence of liquid water for solar water splitting cells Optimizing the Photoanode/Catalyst Interface  Electron and proton transfer at the catalyst IrO2 surface interfaced with liquid water to generate O2 Catalyst Surface Response in Water

What We Do

We develop and employ theoretical and computational methods including Density Functional Theory, Many-Body Perturbation Theory and quantum dynamics for open systems, to understand and predict realistic 

complex materials’ properties including optical, spin and electron 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.


Substrate screening approach for quasiparticle energies of two-dimensional interfaces with lattice mismatch

Congratulations to Chunhao Guo, Junqing Xu, Prof. Rocca and Prof. Ping for their work on “Substrate screening approach for quasiparticle energies of two-dimensional interfaces with lattice mismatch”, published on Physical Review B! Link to the published article can be found here. Link to the preprint can be found here. This work was also selected as...
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New Award from Air Force’s Young Investigator Research Program

Congratulations to Prof. Ping for receiving the award from Air Force Young Investigator Research Program (YIP) ! The objective of this program is to foster creative basic research in science and engineering, enhance early career development of outstanding young investigators, and increase opportunities for the young investigators to recognize the Air Force mission and the...
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Nature Research Award for Inspiring and Innovating Science

Congratulations to Prof. Ping for receiving the Nature Research Award for Inspiring and Innovating Science in partnership with Estée Lauder Companies! She has been recognized for her research on first-principles methodology development on excited-state dynamics for solids and nanostructures, in particular, from many-body perturbation theory with improved numerical efficiency and accuracy, and open quantum dynamics...
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Welcome Dr. Hiroyuki Takenaka!

The Ping Group are very excited to welcome in assistant project scientist Dr. Hiroyuki Takenaka! Learn More
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The Ping Group Team Bio’s

Learn About Our Team