Jun Zhang

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 15

Top Topics

Density Functional Theory

Preterm Infants

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

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

Publications

Zhen Tang, Hong Zhu, Zhijun Pan, Jiali Gao, Jun Zhang
A many-body energy decomposition analysis (MB-EDA) scheme based on a target state optimization self-consistent field (TSO-SCF) method. Physical chemistry chemical physics : PCCP (2024)
Zhen Tang, Hong Zhu, Zhijun Pan, Jiali Gao, Jun Zhang
A many-body energy decomposition analysis (MB-EDA) scheme based on a target state optimization self-consistent field (TSO-SCF) method. Physical chemistry chemical physics : PCCP 26 (25) (2024)
Ruoqi Zhao, Christian Hettich, Jun Zhang, Meiyi Liu, Jiali Gao
Excimer Energies. The journal of physical chemistry letters (2023)
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)
Meixia Ruan, Hao Li, Ying Zhang, Ruoqi Zhao, Jun Zhang, Yingjie Wang, Jiali Gao, Zhuan Wang, Yumei Wang, Dapeng Sun, Wei Ding, Yu-Xiang Weng
Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation. Nature plants (2023)
Jun Zhang
Atom typing using graph representation learning: How do models learn chemistry? The Journal of chemical physics 156 (20) (2022)
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)
Manh-Thuong Nguyen, Jun Zhang, Venkateshkumar Prabhakaran, Shuai Tan, Eric T Baxter, Vaithiyalingam Shutthanandan, Grant E Johnson, Roger Rousseau, Vassiliki-Alexandra Glezakou
Graphene Oxide as a Pb(II) Separation Medium: Has Part of the Story Been Overlooked? JACS Au 1 (6) (2021)
Jun Zhang, Tian Lu
Efficient evaluation of electrostatic potential with computerized optimized code. Physical chemistry chemical physics : PCCP 23 (36) (2021)
Jun Zhang, Eric T Baxter, Manh-Thuong Nguyen, Venkateshkumar Prabhakaran, Roger Rousseau, Grant E Johnson, Vassiliki-Alexandra Glezakou
Structure and Stability of the Ionic Liquid Clusters [EMIM]n[BF4]n+1- (n = 1-9): Implications for Electrochemical Separations. The journal of physical chemistry letters 11 (16) (2020)
Jun Zhang, Vassiliki-Alexandra Glezakou, Roger Rousseau, Manh-Thuong Nguyen
NWPEsSe: An Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems. Journal of chemical theory and computation 16 (6) (2020)
Jun Zhang
libreta: Computerized Optimization and Code Synthesis for Electron Repulsion Integral Evaluation. Journal of chemical theory and computation 14 (2) (2018)
Yang Wang, Xiaoli Sun, Jun Zhang, Jilai Li
A Theoretical Study on Methane C-H Bond Activation by Bare [FeO]+/0/. The journal of physical chemistry. A 121 (18) (2017)