Public Research Seminar by Advanced Materials (AMAT) Thrust, HKUST(GZ) - Unconventional Descriptions of Correlated Electrons
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Electron correlation—the quantum many-body nature of electrons beyond the mean-field approximation—remains a fundamental challenge in modern quantum chemistry. Accurate and computationally efficient descriptions of electron correlation are critical for accelerating molecular and materials discoveries, especially for systems involving transition-metal and f-block elements, where correlation effects are prominent. In this talk, I will present my research addressing this challenge through the development of unconventional electronic structure methods. First, I will emphasize the role of screening effects in capturing dynamic correlation. I will demonstrate the effectiveness of the random phase approximation and its screened exchange corrections in describing noncovalent interactions and guiding catalyst design. Next, I will discuss the treatment of static correlation through symmetry projection, highlighting a novel reformulation of Wick's theorem that enables efficient and numerically stable implementations. Finally, I will touch on my recent efforts towards bridging dynamic and static correlation treatments via strong-weak duality.
Dr. Guo Chen is a postdoctoral researcher at Rice University. He received his B.S. and M.S. degrees in chemistry from Tsinghua University before obtaining his Ph.D. from the University of California, Irvine. Dr. Chen's research focuses on developing unconventional electronic structure methods with balanced accuracy and computational efficiency. He is interested in advancing transition-metal and f-block chemistry, quantum information science, biomedical imaging, and photodynamic therapy through innovations in quantum chemistry.