Zhe Liu

Zhe Liu, Zehua Chen, and Yang Yang. Nonadiabatic Dynamics With Constrained Nuclear-Electronic Orbital Theory. Vol. 16, no. 25, J. Phys. Chem. Lett., 2025, pp. 6559-6.

Yuzhe Zhang, Zhe Liu, and Yang Yang. Finite-Temperature Double Proton Transfer in Formic Acid Dimer via Constrained Nuclear-Electronic Orbital Molecular Dynamics: Lower Barriers and Enhanced Rates from Nuclear Quantum Delocalization. Vol. 21, no. 11, J. Chem. Theory Comput., 2025, pp. 5400-8.

Kenneth Wilson, William Styers, Samuel Wood, R. Claude Woods, Robert McMahon, Zhe Liu, Yang Yang, and Etienne Garand. Spectroscopic Quantification of the Inverted Singlet–Triplet Gap in Pentaazaphenalene. Vol. 146, no. 23, J. Am. Chem. Soc., 2024, pp. 15688-92.