Chaoqun Zhang
183A Sterling Chemistry Lab, 225 Prospect St, New Haven, CT 06511

I am Chaoqun Zhang 张超群, currently a post-doc working with Professor Tianyu Zhu at Department of Chemistry, Yale University. I got my Ph.D. degree with Professor Lan Cheng at Johns Hopkins University and my Bachelor degree at Zhejiang University.
My research focused on the electronic structure theories, with expertise in coupled-cluster methods and relativistic quantum chemistry. I develop electronic structure methods and codes, as well as apply them to realistic systems. I am particularly interested in molecules and materials where spin-orbit coupling plays significant roles, including heavy-element-contain systems, spin defects, molecular spin qubits, and so on. Besides, I work on the treatment of vibronic/electron-phonon coupling, from laser-coolable molecules to strongly-correlated materials.
news
May 15, 2025 | My new website is online! ![]() ![]() |
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Apr 30, 2025 | Attended PCTS workshop for Nonadiabatic dynamics, electron-phonon interactions, and spin-phonon couplings |
Jan 13, 2025 | Attended 2nd PySCF Conference |