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

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.

20
Dec

Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials

Capping of 2018, the group’s paper “Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials” has been published in Physical Review Materials! Congratulations to Tyler, Feng, and Prof. Ping! Defects in two-dimensional (2D) materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their...
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30
Nov

Congratulations Tyler on advancing to PhD Candidacy

Congratulations to Tyler upon advancing to PhD candidacy after a successful oral exam. Keep up the good work!
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07
Nov

Mechanistic insights of enhanced spin polaron conduction in CuO through atomic doping

Our recent work on “Mechanistic insights of enhanced spin polaron conduction in CuO through atomic doping” has been accepted in npj Computational Materials! Congratulations to Tyler, Feng, and Prof. Ping! The formation of a “spin polaron” (SP) stems from strong spin-charge-lattice interactions in magnetic oxides, which leads to a localization of carriers accompanied by local magnetic...
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07
Nov

Point of Anchor: Impacts on Interfacial Charge Transfer of Metal Oxide Nanoparticles

Our recent work on “Point of Anchor: Impacts on Interfacial Charge Transfer of Metal Oxide Nanoparticles” by Bingzhang Lu, Feng Wu in collaboration with Prof. Shaowei Chen’s group was published in the Journal of the American Chemical Society! Photoinduced charge transfer across the metal oxide–organic ligand interface plays a key role in the diverse applications of...
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The Ping Group Team Bio’s

Learn About Our Team