• Projection-based quantum embedding methods on organic molecules, metal organic frameworks, and solids
• DFT study on the reaction mechanism of inorganic catalysts and bacterial enzymes
• Structure determination of natural products/herbal drugs
• Application of development of ASE-ANI, a neural network potential with DFT/CCSD(T) accuracy at force-field cost

• Meet CTC
• ORCID: 0000-0002-7151-6157
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• ResearchGate
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Education

• B.S. Chemistry, Nanjing University (2015)
• Ph.D. University of Minnesota (2020)

Professional Background

• Postdoctoral Researcher, Princeton University (2020-present)

Honors and Awards

• 2016-17 Honorable Mention Teaching Assistant

Selected Publications

• Mechanism of Ti-catalyzed oxidative nitrene transfer in [2+ 2+ 1] pyrrole synthesis from alkynes and azobenzene
• Absolutely Localized Projection-Based Embedding for Excited States
• Cp2Ti (κ2-tBuNCNtBu): a Complex With an Unusual κ2 Coordination Mode of a Heterocumulene Featuring a Free Carbene
• Absolutely Localized Multi-reference DFT Embedding
• Mechanistic Studies of Bioorthogonal ATP Analogues for Assessment of Histidine Kinase Autophosphorylation