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Aodong Liu

About me

I’m currently a Ph.D. candidate in Theoretical Chemistry at the University of Washington, working in the Li Group.

My research focuses on incorporating nuclear quantum effects into electronic structure theory and on developing scalable algorithms for large-scale quantum dynamics simulations.

Specifically, I combine numerical methods with modern high-performance computing architectures to enable calculations at system sizes that are otherwise computationally prohibitive. These efficient implementations allow me to investigate ultrafast dynamics in chemically relevant systems from first principles.

I develop in Gaussian and ChronusQuantum computational chemistry softwares.

Education

Ph.D. in Theoretical Chemistry
2020 – Present
University of Washington, Seattle, WA
Advisor: Xiaosong Li
B.S. in Physical Chemistry
2016 – 2020
Vanderbilt University, Nashville, TN
Advisor: Jens Meiler

Curriculum Vitae

Download my full CV (updated Jan. 2026) here.

Beyond Research

I like to work out and play basketball, and probably watching way too much NBA. I’m fascinated by sports analytics so I occasionally write about interesting statistical findings in Stranger Stats.