Jun Zhang

18PUBLICATIONS
24CO-AUTHORS
Radiation and matterProteins and peptidesTheoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterPhotovoltaic power systems
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Publications (18)

|Feb 17, 2026
Target State Optimization with Density Functional Theory for Computing K-Edge X-ray Absorption Spectra.

Hong Zhu, Yangyi Lu, Jiali Gao

|Mar 19, 2025
CPPCGM: A Highly Efficient Sequence-Based Tool for Simultaneously Identifying and Generating Cell-Penetrating Peptides.

Qiufen Chen, Yuewei Zhang, Jiali Gao

|Nov 26, 2024
Method and Implementation of Projected Hybrid Orbitals for Treating Multiple Covalent Bonds in Combined QM/MM Calculations.

Ruoqi Zhao, Yingjie Wang, Jiali Gao

|Jun 17, 2024
A many-body energy decomposition analysis (MB-EDA) scheme based on a target state optimization self-consistent field (TSO-SCF) method.

Zhen Tang, Hong Zhu, Zhijun Pan

|Mar 01, 2024
Fluorinated organic ammonium salt passivation for high-efficiency and stable inverted CsPbI2Br perovskite solar cells.

Xin Liu, Xingchen She, Lang Wang

|Sep 28, 2023
Leveling the Mountain Range of Excited-State Benchmarking through Multistate Density Functional Theory.

Hong Zhu, Ruoqi Zhao, Yangyi Lu

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Frequent Collaborators

8 joint publications

Jiali Gao

5 joint publications

Yangyi Lu

3 joint publications

Vassiliki-Alexandra Glezakou

2 joint publications

Venkateshkumar Prabhakaran