Yi Yao

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 4

Top Topics

Molecular Dynamics

Energy Transfer

Top Venues

The journal of physical chemistry letters

The Journal of chemical physics

Journal of chemical theory and computation

Duke University

University of North Carolina at Chapel Hill (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Duke University Apr 18 2020

United States

Postdoc :: Mechanical Engineering and Materials Science

University of North Carolina at Chapel Hill Sep 01 2018 - Apr 18 2020

United States

Postdoc :: Chemistry

Education History

University of North Carolina at Chapel Hill Sep 01 2012 - May 01 2018

United States

PHD :: Chemistry

University of Science and Technology of China Jul 01 2008 - May 01 2012

China

BSC :: Chemical Physics

Publications

Yi Yao, Yosuke Kanai
Nuclear Quantum Effect and Its Temperature Dependence in Liquid Water from Random Phase Approximation via Artificial Neural Network. The journal of physical chemistry letters 12 (27) (2021)
Yi Yao, Yosuke Kanai
Temperature dependence of nuclear quantum effects on liquid water via artificial neural network model based on SCAN meta-GGA functional. The Journal of chemical physics 153 (4) (2020)
Dillon C Yost, Yi Yao, Yosuke Kanai
First-Principles Modeling of Electronic Stopping in Complex Matter under Ion Irradiation. The journal of physical chemistry letters 11 (1) (2019)
Yi Yao, Yosuke Kanai
Free Energy Profile of NaCl in Water: First-Principles Molecular Dynamics with SCAN and ωB97X-V Exchange-Correlation Functionals. Journal of chemical theory and computation 14 (2) (2018)