Tianyu Zhu

Tianyu Zhu is an Assistant Professor of Chemistry at Yale University, affiliated with the Department of Chemistry. His research focuses on theoretical chemistry, with an emphasis on developing electronic structure theories and numerical algorithms to study complex quantum phenomena at the intersection of chemistry, physics, and materials science. His work aims to create systematically improvable tools for describing strongly correlated electron systems and molecule-solid interfaces. Zhu's research applies these computational techniques to design materials for quantum technology, explore transition metal catalysts, and understand charge transfer processes in solar cell heterojunctions. He joined Yale's faculty in 2021.

Tianyu Zhu is an Assistant Professor at Yale University specializing in Theoretical Chemistry, Electronic Structure, Condensed Matter Physics, and Quantum Chemistry. His research focuses on developing computational methods for understanding electronic structure and excited-state properties of materials, with applications in organic light-emitting diodes (OLEDs) and quantum embedding theories. He has contributed to the advancement of ab initio quantum embedding techniques, such as density matrix embedding theory and dynamical mean-field theory, for periodic systems. His work also explores the design of thermally activated delayed fluorescence (TADF) materials and the role of molecular structure in optimizing optoelectronic properties.