People

Aodong
Liu
Graduate Student, Fifth Year

[email protected]
321 Bagley Hall Department of Chemistry
University of Washington
Seattle, WA 98195-1700
Website


Education


Awards

  • 2020
    Excellence in Chemistry Graduate Fellowship Award Vanderbilt University


Publications

  1. Simulating Magnetic Field-Driven Real-Time Quantum Dynamics Using London Nuclear–Electronic Orbital Approach
    Diandong Tang, Aodong Liu, Tanner Culpitt, Sharon Hammes-Schiffer, Xiaosong Li
    Journal of Chemical Theory and Computation2025, Just Accepted
  2. Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units
    Mikael Kovtun, Eleftherios Lambros, Aodong Liu, Diandong Tang, David B. Williams-Young, Xiaosong Li
    Journal of Chemical Theory and Computation2024, 20,18, 7694-7699
  3. Multicomponent Cholesky Decomposition: Application to Nuclear–Electronic Orbital Theory
    Aodong Liu, Tianyuan Zhang, Sharon Hammes-Schiffer, and Xiaosong Li
    Journal of Chemical Theory and Computation2023, 19, 18, 6255-6262
  4. Simultaneous Optimization of Nuclear–Electronic Orbitals
    Aodong Liu, Mathew Chow, Andrew Wildman, Michael J. Frisch, Sharon Hammes-Schiffer, and Xiaosong Li
    Journal of Physical Chemistry A2022, 126, 7033-7039