UNIVERISTY of WISCONSIN-MADISON

Department of Chemistry

College of Letters & Science
Yang Yang

Research Description   |  Awards |  Publications

Email address: yyang222@wisc.edu

Room Number: 
8305I
Telephone Number: 
608-262-9801
Research Website: 
Yang Research Group
Group Affiliation: 
Yang Group
Position Name: 
Assistant Professor
Path: 
Physical
Education: 
B.S. in Chemistry and Physics, 2011, Peking University
Ph.D. 2016, Duke University
Postdoctoral Associate, 2016-2019, University of Illinois at Urbana-Champaign and Yale University
 
yang's picture

All Awards

Selected Publications

Xu X, Yang Y. Full-quantum descriptions of molecular systems from constrained nuclear-electronic orbital density functional theory. Journal of Chemical Physics. 2020;153:074106.
Xu X, Yang Y. Constrained nuclear-electronic orbital density functional theory: Energy surfaces with nuclear quantum effects. Journal of Chemical Physics. 2020;152.
Tao Z, Yang Y, Hammes-Schiffer S. Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium. Journal of Chemical Physics. 2019;151.
Yang Y, Schneider PE, Culpitt T, Pavošević F, Hammes-Schiffer S. Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital Framework. Journal of Physical Chemistry Letters. 2019;10:1167-1172.
Culpitt T, Yang Y, Schneider PE, Pavošević F, Hammes-Schiffer S. Molecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital Framework. Journal of Chemical Theory and Computation. 2019;15:6840-6849.

All Publications