Yangyi Lu

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 7

Top Topics

Minimally Invasive

Electron Transfer

Density Functional Theory

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

The Journal of chemical physics

The Ohio State University

Ohio State University (PHD)

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

Affiliation History

The Ohio State University Jan 03 2019

United States

Postdoctoral Researcher :: Department of Chemistry

Education History

Ohio State University Aug 02 2013 - Dec 16 2018

United States

PHD :: Department of Chemistry

Peking University Sep 01 2008 - Jul 05 2012

China

BSC :: Department of Chemistry

Publications

Jun Zhang, Zhen Tang, Xiaoyong Zhang, Hong Zhu, Ruoqi Zhao, Yangyi Lu, Jiali Gao
Target State Optimized Density Functional Theory for Electronic Excited and Diabatic States. Journal of chemical theory and computation (2023)
Hong Zhu, Ruoqi Zhao, Yangyi Lu, Meiyi Liu, Jun Zhang, Jiali Gao
Leveling the Mountain Range of Excited-State Benchmarking through Multistate Density Functional Theory. The journal of physical chemistry. A (2023)
Christian P Hettich, Xiaoyong Zhang, David Kemper, Ruoqi Zhao, Shaoyuan Zhou, Yangyi Lu, Jiali Gao, Jun Zhang, Meiyi Liu
Multistate Energy Decomposition Analysis of Molecular Excited States. JACS Au 3 (7) (2023)
Yangyi Lu, Ruoqi Zhao, Jun Zhang, Meiyi Liu, Jiali Gao
Minimal Active Space: NOSCF and NOSI in Multistate Density Functional Theory. Journal of chemical theory and computation 18 (11) (2022)
Yangyi Lu, Jiali Gao
Fundamental Variable and Density Representation in Multistate DFT for Excited States. Journal of chemical theory and computation (2022)
Yangyi Lu, Jiali Gao
Multistate Density Functional Theory of Excited States. The journal of physical chemistry letters 13 (33) (2022)
Yangyi Lu, Dongping Zhong
Nonequilibrium dynamics of photoinduced forward and backward electron transfer reactions. The Journal of chemical physics 152 (6) (2020)