Yang Yang

21PUBLICATIONS
23CO-AUTHORS
Theoretical quantum chemistryNonlinear optics and spectroscopyDegenerate quantum gases and atom opticsElectrometallurgyQuantum information, computation and communication
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Publications (21)

|Dec 29, 2025
Analytic polarizability and vibrational Raman spectra from constrained nuclear-electronic orbital density functional theory.

Haoran Chen, Yuzhe Zhang, Yiwen Wang

|Oct 18, 2025
Characterizing Infrared Spectra of OH<sup>-</sup>·(H<sub>2</sub>O)<sub>2</sub> and OH<sup>-</sup>·(H<sub>2</sub>O)<sub>3</sub> with Constrained Nuclear-Electronic Orbital Molecular Dynamics.

Zhe Liu, Yiwen Wang, Yuzhe Zhang

|Aug 12, 2025
Constrained Nuclear-Electronic Orbital Theory for Quantum Computation.

Tanner Culpitt, Zehua Chen, Fabijan Pavošević

|Aug 11, 2025
Periodic Constrained Nuclear-Electronic Orbital Density Functional Theory for Nuclear Quantum Effects: Method Development and Application to Hydrogen Adsorption on Pt(111).

Zehua Chen, Yang Yang

|Jun 18, 2025
Nonadiabatic Dynamics with Constrained Nuclear-Electronic Orbital Theory.

Zhe Liu, Zehua Chen, Yang Yang

|Jan 08, 2025
Constrained Nuclear-Electronic Orbital Transition State Theory Using Energy Surfaces with Nuclear Quantum Effects.

Zehua Chen, Jingjing Zheng, Donald G Truhlar

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Frequent Collaborators

12 joint publications

Zehua Chen

6 joint publications

Yuzhe Zhang

4 joint publications

Xi Xu

4 joint publications

Yiwen Wang