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.

Combining Landau-Zener Theory and Kinetic Monte Carlo Sampling for Small Polaron Mobility of Doped BiVO4 from First-principles

Congratulations Feng and Prof. Ping on there new publication in Journal of Materials Chemistry A!   In this work we established a first-principles framework for polaron hopping mobility in anisotropic and doped metal oxides, by combining the generalized Landau-Zener theory with kinetic Monte-Carlo sampling.  Within this method, we can obtain the hopping transfer rates that...
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Quantum information science

The Ping Group made the UCSC news for its research in quantum information science! At UC Santa Cruz, materials scientists are working to develop novel materials that can serve as the foundation for quantum information technology, just as silicon chips paved the way for today’s digital technologies… read full article.
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Outstanding Poster Presentation Award at LLNL

Tyler Smart’s poster presentation title “Electron Transport and Atomic Doping in Cobalt Oxide” received the Outstanding Poster Presentation Award at the 2018 Summer Student Poster Symposium at Lawrence Livermore National Laboratory. Congratulations Tyler!
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NSF Materials Research (DMR) Award

Our proposal on “First-Principles Design of Charged Defects for Two-dimensional Quantum Technologies” has been funded by NSF/DMR-CMMT Summary: This award supports theoretical and computational research to develop computational methods and to investigate materials with potential application to quantum information technology. Defects in two-dimensional (2D) materials, such as ultrathin hexagonal Boron Nitride, have been found to...
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The Ping Group Team Bio’s

Learn About Our Team