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

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.

06
Jan

Materials Theorist Yuan Ping Wins NSF CAREER Award

News report from UCSC: Yuan Ping, assistant professor of chemistry and biochemistry at UC Santa Cruz, has received a Faculty Early Career Development (CAREER) Award from the National Science Foundation (NSF) to support her work developing computational platforms to investigate the physics of new materials for quantum computers and other applications of quantum information science....
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17
Nov

Ab initio ultrafast spin dynamics in solids

Congratulations to Junqing Xu and Prof. Yuan Ping in collaboration with Adela Habib and Prof. Ravishankar Sundararaman for their work on “Ab initio ultrafast spin dynamics in solids”, published in Physical Review B!  Link to the published article. This work was also selected as Featured in Physics and Editors’ Suggestion in APS Physical Reviews, and...
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12
Nov

Giant Spin Lifetime Anisotropy and Spin-Valley Locking in Silicene and Germanene from First-Principles Density-Matrix Dynamics

Congratulations to Junqing Xu, Hiroyuki Takenaka, and Prof. Yuan Ping in collaboration with Adela Habib and Prof. Ravishankar Sundararaman for their work on “Giant Spin Lifetime Anisotropy and Spin-Valley Locking in Silicene and Germanene from First-Principles Density-Matrix Dynamics”, published in Nano Letters!  Link to the published article. Abstract: Through first-principles real-time density-matrix (FPDM) dynamics simulations, we...
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15
Sep

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! The journal cover represents this work. Computational design of 2D quantum defects Volume 1 Issue 10, October 2021 Quantum defects in two-dimensional (2D) materials are considered important candidates for next-generation...
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The Ping Group Team Bio’s

Learn About Our Team