Toby Zeng

Toby Zeng is an Associate Professor in the Department of Chemistry at York University. His research focuses on theoretical and computational chemistry, with emphasis on vibronic interactions, relativistic effects, and excited state chemistry. He leads the Zeng Lab, developing computational methods for understanding molecular systems.

Research interests include singlet fission in organic photovoltaics, microscopic superfluidity in clusters, and spin-orbit coupling effects using natural spinor theory. Notable contributions include the VHEGEN software package for vibronic Hamiltonian expansions and the design of ultrafast singlet fission chromophores.

• Recipient of the 2024 Tom Ziegler Award for research excellence

His work addresses fundamental problems in chemical physics, combining mathematical formalism with computational simulations. Ongoing projects explore relativistic core potentials and quantum dynamics in molecular systems.