Qi Yu

Qi Yu


Nuclear Electronic Orbital (NEO) Method, Proton-Coupled Electron Transfer (PCET)

q.yu@yale.edu

Ph.D in Chemistry, 2019
Emory University, Atlanta, GA

Nuclear-electronic orbital multistate density functional theory

288. Q. Yu and S. Hammes-Schiffer, “Nuclear-electronic orbital multistate density functional theory,” J. Phys. Chem. Lett. 11, 10106-10113 (2020).

Development of nuclear basis sets for multicomponent quantum chemistry methods

280. Q. Yu, F. Pavošević, and S. Hammes-Schiffer, “Development of nuclear basis sets for multicomponent quantum chemistry methods,” J. Chem. Phys. 152, 244123 (2020).