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.


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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Spin-phonon relaxation from a universal ab initio density-matrix approach

Congratulations to Junqing Xu and Prof. Ping for their publication, just accepted by Nature Communications! Link to the published article can be found here. Link to the preprint can be found here. This work has also been highlighted by UCSC News Press , Santa Cruz Tech Beat,  ScienceDaily, Phys.Org,  SwissQuantumHub Designing new quantum materials with long-lived...
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NSF Award on Ab Initio Ultrafast Dynamics of Spin, Valley and Charge in Quantum Materials

Our proposal titled “CD&E: Ab Initio Ultrafast Dynamics of Spin, Valley and Charge in Quantum Materials” has been funded by NSF/DMR-CMMT (Condensed Matter and Materials Theory) under grant number 1956015, in collaboration with Prof. Sundararaman at RPI.  Technical Summary: The goal of this research project is to predict quantitatively quantum dynamics of electrons with spin,...
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The Ping Group Team Bio’s

Learn About Our Team