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. 

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.


Computational Design of Quantum Defects in Two-Dimensional Materials

Congratulations to Prof. Ping and Dr. Tyler Smart for their work on “Computational Design of Quantum Defects in Two-Dimensional Materials”, published in Nature Computational Science!  Abstract: Missing atoms or atom substitutions (point defects) in crystal lattices in two-dimensional materials are potential hosts for emerging quantum technologies, such as single-photon emitters and spin quantum bits (qubits). First-principles-guided design...
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Chunhao Guo receives the John & Grace Wang Award

Congratulations to Chunhao Guo, who receives the John & Grace Wang Award from the physical chemistry division in the chemistry and biochemistry department at UCSC which recognizes his outstanding academic work!
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Enhancing Defect Tolerance with Ligands at the Surface of Lead Halide Perovskites

Congratulations to Tyler J. Smart, Hiroyuki Takenaka and Prof. Yuan Ping in collaboration with Jin Zhang (UCSC), Liang Tan (LBNL), TuanAnh Pham and Tadashi Ogitsu (LLNL) for their work on “Enhancing Defect Tolerance with Ligands at the Surface of Lead Halide Perovskites”, published in J. Phys. Chem. Lett.! Link to the published article. Abstract: High...
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Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

Congratulations to Tyler Smart, Valentin Urena Baltazar, Mingpeng Chen and Prof. Ping for their work on “Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons”, published in Chemistry of Materials! Link to the published article. Abstract: Highly effective doping in transition metal oxides is critical to fundamentally overcome low carrier conductivity due to small polaron...
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The Ping Group Team Bio’s

Learn About Our Team