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 Slide Slide

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.  Our group’s most updated information:

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.


Predictive modeling yields promising ‘spin’ on semiconductors for quantum technologies

UW Madison News Semiconductors have traditionally relied on electron for the on/off switches to record and process information. The next iteration of computing, including low-power devices and quantum computers, is shifting to “spintronics,” will rely on new types of semiconductors that use a fundamental property of electrons called spin instead of electric charge. Yuan Ping,...
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Ab Initio Predictions of Spin Relaxation, Dephasing, and Diffusion in Solids

Congratulations to Junqing Xu and Yuan Ping for their work on “Ab Initio Predictions of Spin Relaxation, Dephasing, and Diffusion in Solids”, published in Journal of Chemical Theory and Computation!  Link to the published article. Abstract: Spin relaxation, dephasing, and diffusion are at the heart of spin-based information technology. Accurate theoretical approaches to simulate spin...
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How Spin Relaxes and Dephases in Bulk Halide Perovskites

Congratulations to Junqing Xu, Kejun Li and Yuan Ping for their work with Uyen N. Huynh, Jinsong Huang, Ravishankar Sundararaman and Valy Vardeny on “How Spin Relaxes and Dephases in Bulk Halide Perovskites”, published in Nature Communication!  Link to the published article. Abstract: Spintronics in halide perovskites has drawn significant attention in recent years, due...
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Ping Group’s Move to UW Madison: A New Chapter in Research Excellence

Congratulations to the Ping Group on their momentous move to UW Madison! This relocation signifies an exciting new phase in their research journey, as they join a great academic community known for excellence. Ping group will work with theoretical chemistry institute at UWMadison, Wisconsin NSF-MRSEC center, Wisconsin quantum institute for interdisciplinary research.  Best wishes to...
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The Ping Group Team Bio’s

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