Jun Jiang

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 154

Top Venues

The journal of physical chemistry letters

Journal of the American Chemical Society

Nature communications

Proceedings of the National Academy of Sciences of the United States of America

University of Science and Technology of China

Chinese Academy of Science (PHD)

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

Affiliation History

University of Science and Technology of China

China

Professor :: School of Chemistry and Materials Science

University of California Irvine, USA

United States

Post-Doc :: Chemistry

Education History

Chinese Academy of Science

China

PHD :: Shanghai Institute of Technical Physics

Royal Institute of Technology, Sweden

Sweden

PHD :: Theoretical Chemistry

WuHan University, China

China

BSC :: physics

Publications

Sheng Ye, Kai Zhong, Yan Huang, Guo-Zhen Zhang, Changyin Sun, Jun Jiang
Artificial Intelligence-based Amide-II Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics. Journal of the American Chemical Society 146 (4) (2024)
Sheng Ye, Kai Zhong, Yan Huang, Guo-Zhen Zhang, Changyin Sun, Jun Jiang
Artificial Intelligence-based Amide-II Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics. Journal of the American Chemical Society 146 (4) (2024)
Xiangyi Shan, Yiyang Pan, Furong Cai, Han Gao, Jianan Xu, Daobin Liu, Qing Zhu, Panpan Li, Zhaoyu Jin, Jun Jiang, Min Zhou
Accelerating the Discovery of Efficient High-Entropy Alloy Electrocatalysts: High-Throughput Experimentation and Data-Driven Strategies. Nano letters (2024)
Yuqin Zhang, Da Wang, Guanping Wei, Baolei Li, Zongchang Mao, Si-Min Xu, Shaobin Tang, Jun Jiang, Zhenyu Li, Xijun Wang, Xin Xu
Engineering Spin Polarization of the Surface-Adsorbed Fe Atom by Intercalating a Transition Metal Atom into the MoS 2 Bilayer for Enhanced Nitrogen Reduction. JACS Au 4 (4) (2024)
Chao-Hai Gu, Song Wang, Ai-Yong Zhang, Chang Liu, Jun Jiang, Han-Qing Yu
Tuning electronic structure of metal-free dual-site catalyst enables exclusive singlet oxygen production and in-situ utilization. Nature communications 15 (1) (2024)
Guokun Yang, Shuang Jiang, Yi Luo, Song Wang, Jun Jiang
Cross-Modal Prediction of Spectral and Structural Descriptors via a Pretrained Model Enhanced with Chemical Insights. The journal of physical chemistry letters 15 (34) (2024)
Guokun Yang, Shuang Jiang, Yi Luo, Song Wang, Jun Jiang
Cross-Modal Prediction of Spectral and Structural Descriptors via a Pretrained Model Enhanced with Chemical Insights. The journal of physical chemistry letters (2024)
Peng Liu, Huifeng Liu, Yue Qiu, Jun Jiang, Wenhui Zhong
Electron Transfer Induced by the Change of Spin States as a Catalytic Descriptor on C 2 N-TM Single-Atom Catalysts. The journal of physical chemistry letters (2024)
Ge Yang, Denan Wang, Yang Wang, Wenhui Hu, Shuaishuai Hu, Jun Jiang, Jier Huang, Hai-Long Jiang
Modulating the Primary and Secondary Coordination Spheres of Single Ni(II) Sites in Metal-Organic Frameworks for Boosting Photocatalysis. Journal of the American Chemical Society (2024)
Yuhang Cai, Zhaowu Wang, Jiawei Wan, Jiachen Li, Ruihan Guo, Joel W Ager Iii, Ali Javey, Haimei Zheng, Jun Jiang, Junqiao Wu
Ion diffusion retarded by diverging chemical susceptibility. Nature communications 15 (1) (2024)
Ke Ye, Song Wang, Yan Huang, Min Hu, Donglai Zhou, Yi Luo, Sheng Ye, Guo-Zhen Zhang, Jun Jiang
Machine Learning Prediction of Molecular Binding Profiles on Metal-Porphyrin via Spectroscopic Descriptors. The journal of physical chemistry letters 15 (7) (2024)
Ge Yang, Denan Wang, Yang Wang, Wenhui Hu, Shuaishuai Hu, Jun Jiang, Jier Huang, Hai-Long Jiang
Modulating the Primary and Secondary Coordination Spheres of Single Ni(II) Sites in Metal-Organic Frameworks for Boosting Photocatalysis. Journal of the American Chemical Society 146 (15) (2024)
Xiaoyu Chen, Renlong Zhu, Baicheng Zhang, Xiaolong Zhang, Aoyuan Cheng, Hongping Liu, Ruiying Gao, Xuepeng Zhang, Biao Chen, Shuji Ye, Jun Jiang, Guoqing Zhang
Rapid room-temperature phosphorescence chiral recognition of natural amino acids. Nature communications 15 (1) (2024)
Yuhang Cai, Zhaowu Wang, Jiawei Wan, Jiachen Li, Ruihan Guo, Joel W Ager Iii, Ali Javey, Haimei Zheng, Jun Jiang, Junqiao Wu
Ion diffusion retarded by diverging chemical susceptibility. Nature communications 15 (1) (2024)
Fan Wu, Yan Huang, Guokun Yang, Sheng Ye, Shaul Mukamel, Jun Jiang
Unraveling dynamic protein structures by two-dimensional infrared spectra with a pretrained machine learning model. Proceedings of the National Academy of Sciences of the United States of America 121 (27) (2024)
Yuhang Cai, Zhaowu Wang, Jiawei Wan, Jiachen Li, Ruihan Guo, Joel W Ager Iii, Ali Javey, Haimei Zheng, Jun Jiang, Junqiao Wu
Ion diffusion retarded by diverging chemical susceptibility. Nature communications 15 (1) (2024)
Kang Sun, Yan Huang, Qingyu Wang, Wendi Zhao, Xusheng Zheng, Jun Jiang, Hai-Long Jiang
Manipulating the Spin State of Co Sites in Metal-Organic Frameworks for Boosting CO 2 Photoreduction. Journal of the American Chemical Society (2024)
Sheng Ye, Kai Zhong, Yan Huang, Guo-Zhen Zhang, Changyin Sun, Jun Jiang
Artificial Intelligence-based Amide-II Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics. Journal of the American Chemical Society (2024)
Fan Wu, Yan Huang, Guokun Yang, Sheng Ye, Shaul Mukamel, Jun Jiang
Unraveling dynamic protein structures by two-dimensional infrared spectra with a pretrained machine learning model. Proceedings of the National Academy of Sciences of the United States of America 121 (27) (2024)
Ke Ye, Song Wang, Yan Huang, Min Hu, Donglai Zhou, Yi Luo, Sheng Ye, Guo-Zhen Zhang, Jun Jiang
Machine Learning Prediction of Molecular Binding Profiles on Metal-Porphyrin via Spectroscopic Descriptors. The journal of physical chemistry letters (2024)
Shuang Jiang, Xijun Wang, Yuanyuan Chong, Yan Huang, Wei Hu, Pieter E S Smith, Jun Jiang, Shuo Feng
Spectra-Based Machine Learning for Predicting the Statistical Interaction Properties of CO Adsorbates on Surface. The journal of physical chemistry letters (2024)
Fan Wu, Yan Huang, Guokun Yang, Sheng Ye, Shaul Mukamel, Jun Jiang
Unraveling dynamic protein structures by two-dimensional infrared spectra with a pretrained machine learning model. Proceedings of the National Academy of Sciences of the United States of America 121 (27) (2024)
Xiaoyu Chen, Renlong Zhu, Baicheng Zhang, Xiaolong Zhang, Aoyuan Cheng, Hongping Liu, Ruiying Gao, Xuepeng Zhang, Biao Chen, Shuji Ye, Jun Jiang, Guoqing Zhang
Rapid room-temperature phosphorescence chiral recognition of natural amino acids. Nature communications 15 (1) (2024)
Baicheng Zhang, Yonghao Gu, Victor Manuel Freixas, Shichao Sun, Sergei Tretiak, Jun Jiang, Shaul Mukamel
Cavity Manipulation of Attosecond Charge Migration in Conjugated Dendrimers. Journal of the American Chemical Society (2024)
Kang Sun, Yan Huang, Fusai Sun, Qingyu Wang, Yujie Zhou, Jingxue Wang, Qun Zhang, Xusheng Zheng, Fengtao Fan, Yi Luo, Jun Jiang, Hai-Long Jiang
Dynamic structural twist in metal-organic frameworks enhances solar overall water splitting. Nature chemistry (2024)
Yang Wang, Yan Huang, X Wang, Jun Jiang
Exploring Enzyme-Mimicking Metal-Organic Frameworks for CO 2 Conversion through Vibrational Spectra-Based Machine Learning. The journal of physical chemistry letters (2024)
Kang Sun, Yan Huang, Fusai Sun, Qingyu Wang, Yujie Zhou, Jingxue Wang, Qun Zhang, Xusheng Zheng, Fengtao Fan, Yi Luo, Jun Jiang, Hai-Long Jiang
Dynamic structural twist in metal-organic frameworks enhances solar overall water splitting. Nature chemistry (2024)
Sheng Ye, Kai Zhong, Yan Huang, Guo-Zhen Zhang, Changyin Sun, Jun Jiang
Artificial Intelligence-based Amide-II Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics. Journal of the American Chemical Society 146 (4) (2024)
Xiaoyu Chen, Renlong Zhu, Baicheng Zhang, Xiaolong Zhang, Aoyuan Cheng, Hongping Liu, Ruiying Gao, Xuepeng Zhang, Biao Chen, Shuji Ye, Jun Jiang, Guoqing Zhang
Rapid room-temperature phosphorescence chiral recognition of natural amino acids. Nature communications 15 (1) (2024)
Yuqin Zhang, Da Wang, Guanping Wei, Baolei Li, Zongchang Mao, Si-Min Xu, Shaobin Tang, Jun Jiang, Zhenyu Li, Xijun Wang, Xin Xu
Engineering Spin Polarization of the Surface-Adsorbed Fe Atom by Intercalating a Transition Metal Atom into the MoS 2 Bilayer for Enhanced Nitrogen Reduction. JACS Au 4 (4) (2024)
Yang Wang, Yan Huang, X Wang, Jun Jiang
Exploring Enzyme-Mimicking Metal-Organic Frameworks for CO 2 Conversion through Vibrational Spectra-Based Machine Learning. The journal of physical chemistry letters 15 (25) (2024)
Chao-Hai Gu, Song Wang, Ai-Yong Zhang, Chang Liu, Jun Jiang, Han-Qing Yu
Tuning electronic structure of metal-free dual-site catalyst enables exclusive singlet oxygen production and in-situ utilization. Nature communications 15 (1) (2024)
Kang Sun, Yan Huang, Qingyu Wang, Wendi Zhao, Xusheng Zheng, Jun Jiang, Hai-Long Jiang
Manipulating the Spin State of Co Sites in Metal-Organic Frameworks for Boosting CO 2 Photoreduction. Journal of the American Chemical Society 146 (5) (2024)
Xiaoyu Chen, Renlong Zhu, Baicheng Zhang, Xiaolong Zhang, Aoyuan Cheng, Hongping Liu, Ruiying Gao, Xuepeng Zhang, Biao Chen, Shuji Ye, Jun Jiang, Guoqing Zhang
Rapid room-temperature phosphorescence chiral recognition of natural amino acids. Nature communications 15 (1) (2024)
Shuang Jiang, Xijun Wang, Yuanyuan Chong, Yan Huang, Wei Hu, Pieter E S Smith, Jun Jiang, Shuo Feng
Spectra-Based Machine Learning for Predicting the Statistical Interaction Properties of CO Adsorbates on Surface. The journal of physical chemistry letters 15 (9) (2024)
Wenhui Zhong, Jun Jiang
The Rational Design of Atomically Dispersed Catalysts via Spin Manipulation. The journal of physical chemistry letters 15 (20) (2024)
Wenhui Zhong, Jun Jiang
The Rational Design of Atomically Dispersed Catalysts via Spin Manipulation. The journal of physical chemistry letters (2024)
Guokun Yang, Shuang Jiang, Yi Luo, Song Wang, Jun Jiang
Cross-Modal Prediction of Spectral and Structural Descriptors via a Pretrained Model Enhanced with Chemical Insights. The journal of physical chemistry letters 15 (34) (2024)
Wenjie Du, Fenfen Ma, Baicheng Zhang, Jiahui Zhang, Di Wu, Edward Sharman, Jun Jiang, Yang Wang
Spectroscopy-Guided Deep Learning Predicts Solid-Liquid Surface Adsorbate Properties in Unseen Solvents. Journal of the American Chemical Society (2023)
Tongtong Yang, Donglai Zhou, Sheng Ye, Xiyu Li, Huirong Li, Yi Feng, Zifan Jiang, Li Yang, Ke Ye, Yixi Shen, Shuang Jiang, Shuo Feng, Guo-Zhen Zhang, Yan Huang, Song Wang, Jun Jiang
Catalytic Structure Design by AI Generating with Spectroscopic Descriptors. Journal of the American Chemical Society (2023)
Wei Du, Feng Gao, Peng Cui, Zhiwu Yu, Wei Tong, Jihao Wang, Zhuang Ren, Chuang Song, Jiaying Xu, Haifeng Ma, Liyun Dang, Di Zhang, Qingyou Lu, Jun Jiang, Junfeng Wang, Li Pi, Zhigao Sheng, Qingyi Lu
Twisting, untwisting, and retwisting of elastic Co-based nanohelices. Nature communications 14 (1) (2023)
Min Hu, Ke Ye, Guo-Zhen Zhang, Xiyu Li, Jun Jiang
Insight into the Mechanism for Catalytic Activity of the Oxygen/Hydrogen Evolution Reaction on a Dual-Site Catalyst. The journal of physical chemistry letters 14 (8) (2023)
Zeshi Wang, Wenhui Zhong, Jun Jiang, Song Wang
Decoupling Analysis of O 2 Adsorption on Metal-N-C Single-Atom Catalysts via Data-Driven Descriptors. The journal of physical chemistry letters (2023)
Zihan Zou, Yujin Zhang, Lijun Liang, Mingzhi Wei, Jiancai Leng, Jun Jiang, Yi Luo, Wei Hu
A deep learning model for predicting selected organic molecular spectra. Nature computational science 3 (11) (2023)
Beibei Pang, Chuanyi Jia, Sicong Wang, Tong Liu, Tao Ding, Xiaokang Liu, Dong Liu, Linlin Cao, Mengzhao Zhu, Changhao Liang, Yuen Wu, Zhaoliang Liao, Jun Jiang, Tao Yao
Self-Optimized Ligand Effect of Single-Atom Modifier in Ternary Pt-Based Alloy for Efficient Hydrogen Oxidation. Nano letters (2023)
Yuanyuan Chong, Yaoyuan Huo, Shuang Jiang, Xijun Wang, Baichen Zhang, Tianfu Liu, Xin Chen, TianTian Han, Pieter Ernst Scholtz Smith, Song Wang, Jun Jiang
Machine learning of spectra-property relationship for imperfect and small chemistry data. Proceedings of the National Academy of Sciences of the United States of America 120 (20) (2023)
Yuanyuan Chong, Yaoyuan Huo, Shuang Jiang, Xijun Wang, Baichen Zhang, Tianfu Liu, Xin Chen, TianTian Han, Pieter Ernst Scholtz Smith, Song Wang, Jun Jiang
Machine learning of spectra-property relationship for imperfect and small chemistry data. Proceedings of the National Academy of Sciences of the United States of America 120 (20) (2023)
Yifan Xie, Shuo Feng, Linxiao Deng, Aoran Cai, Liyu Gan, Zifan Jiang, Peng Yang, Guilin Ye, Zaiqing Liu, Li Wen, Qing Zhu, Wanjun Zhang, Zhanpeng Zhang, Jiahe Li, Zeyu Feng, Chutian Zhang, Wenjie Du, Lixin Xu, Jun Jiang, Xin Chen, Gang Zou
Inverse design of chiral functional films by a robotic AI-guided system. Nature communications 14 (1) (2023)
Baicheng Zhang, Hengyu Xiao, Guilin Ye, Zhaokun Song, Tiantian Han, Edward Sharman, Man Luo, Aoyuan Cheng, Qing Zhu, Haitao Zhao, Guoqing Zhang, Song Wang, Jun Jiang
Label-Free Data Mining of Scientific Literature by Unsupervised Syntactic Distance Analysis. The journal of physical chemistry letters 15 (1) (2023)
Wenjie Du, Fenfen Ma, Baicheng Zhang, Jiahui Zhang, Di Wu, Edward Sharman, Jun Jiang, Yang Wang
Spectroscopy-Guided Deep Learning Predicts Solid-Liquid Surface Adsorbate Properties in Unseen Solvents. Journal of the American Chemical Society 146 (1) (2023)
Liang Li, Min Hu, Changlong Hu, Bo-Wen Li, Shanguang Zhao, Ting Zhou, Jinglin Zhu, Meiling Liu, Liangbin Li, Jun Jiang, Chong-Wen Zou
Ultrahigh Effective Diffusion in Oxide by Engineering the Interfacial Transporter Channels. Nano letters (2023)
Shaotong Zhu, MingXin Qin, Lanlan Chen, Shuang Jiang, Yanan Zhou, Jun Jiang, Wenhua Zhang
Theoretical Investigation of Electrocatalytic Reduction of Nitrates to Ammonia on Highly Efficient and Selective g-C 2 N Monolayer-Supported Single Transition-Metal Atoms. The journal of physical chemistry letters 14 (18) (2023)
Sibei Guo, Jun Jiang, Hao Ren, Song Wang
Fusion of Multiple Spectra for Investigating Chemical Bonding Properties via Machine Learning. The journal of physical chemistry letters (2023)
Min Zou, Jing Yang, Xiaolong Yue, Yanan Yuan, Zhongmei Che, Mei Li, Bo Li, Jiaxi Cui, Wei Hu, Shuai Wang, Jun Jiang, Chuanyi Jia
Design of Efficient Oxygen Reduction Reaction Catalysts with Single Transition Metal Atom on N-Doped Graphdiyne. The journal of physical chemistry letters (2023)
Wei Li, Cong Liu, Chenkai Gu, Jin-Ho Choi, Song Wang, Jun Jiang
Interlayer Charge Transfer Regulates Single-Atom Catalytic Activity on Electride/Graphene 2D Heterojunctions. Journal of the American Chemical Society 145 (8) (2023)
Zihan Zou, Yujin Zhang, Lijun Liang, Mingzhi Wei, Jiancai Leng, Jun Jiang, Yi Luo, Wei Hu
A deep learning model for predicting selected organic molecular spectra. Nature computational science 3 (11) (2023)
Wenjie Du, Fenfen Ma, Baicheng Zhang, Jiahui Zhang, Di Wu, Edward Sharman, Jun Jiang, Yang Wang
Spectroscopy-Guided Deep Learning Predicts Solid-Liquid Surface Adsorbate Properties in Unseen Solvents. Journal of the American Chemical Society 146 (1) (2023)
Shaotong Zhu, MingXin Qin, Lanlan Chen, Shuang Jiang, Yanan Zhou, Jun Jiang, Wenhua Zhang
Theoretical Investigation of Electrocatalytic Reduction of Nitrates to Ammonia on Highly Efficient and Selective g-C 2 N Monolayer-Supported Single Transition-Metal Atoms. The journal of physical chemistry letters (2023)
Wenjie Du, Fenfen Ma, Baicheng Zhang, Jiahui Zhang, Di Wu, Edward Sharman, Jun Jiang, Yang Wang
Spectroscopy-Guided Deep Learning Predicts Solid-Liquid Surface Adsorbate Properties in Unseen Solvents. Journal of the American Chemical Society 146 (1) (2023)
Xiyu Li, Xingshun Wu, Yuan Zhao, Yunxiang Lin, Jiahui Zhao, Chuanqiang Wu, Hengjie Liu, Lei Shan, Li Yang, Li Song, Jun Jiang
Promoting Oxygen Reduction Reaction by Inducing Out-of-plane Polarization in Metal Phthalocyanine Catalyst. Advanced materials (Deerfield Beach, Fla.) (2023)
Beibei Pang, Chuanyi Jia, Sicong Wang, Tong Liu, Tao Ding, Xiaokang Liu, Dong Liu, Linlin Cao, Mengzhao Zhu, Changhao Liang, Yuen Wu, Zhaoliang Liao, Jun Jiang, Tao Yao
Self-Optimized Ligand Effect of Single-Atom Modifier in Ternary Pt-Based Alloy for Efficient Hydrogen Oxidation. Nano letters 23 (9) (2023)
Baicheng Zhang, Hengyu Xiao, Guilin Ye, Zhaokun Song, Tiantian Han, Edward Sharman, Man Luo, Aoyuan Cheng, Qing Zhu, Haitao Zhao, Guoqing Zhang, Song Wang, Jun Jiang
Label-Free Data Mining of Scientific Literature by Unsupervised Syntactic Distance Analysis. The journal of physical chemistry letters (2023)
Yuanyuan Chong, Yaoyuan Huo, Shuang Jiang, Xijun Wang, Baichen Zhang, Tianfu Liu, Xin Chen, TianTian Han, Pieter Ernst Scholtz Smith, Song Wang, Jun Jiang
Machine learning of spectra-property relationship for imperfect and small chemistry data. Proceedings of the National Academy of Sciences of the United States of America 120 (20) (2023)
Cheng-Xing Cui, Jiali Peng, Jun Jiang
Theoretical Study on the Mechanism of Cobalt-Catalyzed C-O Silylation and Stannylation. ACS omega 8 (26) (2023)
Min Hu, Ke Ye, Guo-Zhen Zhang, Xiyu Li, Jun Jiang
Insight into the Mechanism for Catalytic Activity of the Oxygen/Hydrogen Evolution Reaction on a Dual-Site Catalyst. The journal of physical chemistry letters (2023)
Chao-Hai Gu, Song Wang, Ai-Yong Zhang, Chang Liu, Jun Jiang, Han-Qing Yu
Slow-release synthesis of Cu single-atom catalysts with the optimized geometric structure and density of state distribution for Fenton-like catalysis. Proceedings of the National Academy of Sciences of the United States of America 120 (43) (2023)
Li-Hui Mou, TianTian Han, Pieter E S Smith, Edward Sharman, Jun Jiang
Machine Learning Descriptors for Data-Driven Catalysis Study. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2023)
Zihan Zou, Yujin Zhang, Lijun Liang, Mingzhi Wei, Jiancai Leng, Jun Jiang, Yi Luo, Wei Hu
A deep learning model for predicting selected organic molecular spectra. Nature computational science 3 (11) (2023)
Bo Li, Tiejun Xiao, Feng Long Gu, Jun Jiang, Chuanyi Jia
Torsion Angles between Donor and Acceptor Moieties as a Descriptor for Designing Nonlinear Optics and Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. A (2023)
Wei Li, Cong Liu, Chenkai Gu, Jin-Ho Choi, Song Wang, Jun Jiang
Interlayer Charge Transfer Regulates Single-Atom Catalytic Activity on Electride/Graphene 2D Heterojunctions. Journal of the American Chemical Society (2023)
Hao Ren, Qian Zhang, Zhengjie Wang, Guo-Zhen Zhang, Hongzhang Liu, Wenyue Guo, Shaul Mukamel, Jun Jiang
Machine learning recognition of protein secondary structures based on two-dimensional spectroscopic descriptors. Proceedings of the National Academy of Sciences of the United States of America 119 (18) (2022)
Jing Yang, Liqiang Lv, Shuo Cui, Cuihong Sun, Li Sun, Boxuan Shi, Edward Sharman, Jun Jiang, Chuanyi Jia
Catalytic Descriptor Exploration for Ru-Based Fischer-Tropsch Catalysts: Effect of Chlorine and Sulfur Addition. The journal of physical chemistry letters 13 (38) (2022)
Shuo Feng, Yi Luo, Jun Jiang, Song Wang
Examining the Long-Range Effect in Very Long Graphene Nanoribbons: A First-Principles Study. The journal of physical chemistry letters 13 (48) (2022)
Hengyu Xiao, Huirong Li, Xiyu Li, Jun Jiang
Effect of the Charge State on the Catalytic Activity of a Fullerene-Based Molecular Electrocatalyst: A Theoretical Study. The journal of physical chemistry letters 13 (32) (2022)
Yuqin Zhang, Tianyong Liu, Xiaohang Wang, Qian Dang, Mingjie Zhang, Shiyong Zhang, Xingxing Li, Shaobin Tang, Jun Jiang
Dual-Atom Metal and Nonmetal Site Catalyst on a Single Nickel Atom Supported on a Hybridized BCN Nanosheet for Electrochemical CO 2 Reduction to Methane: Combining High Activity and Selectivity. ACS applied materials & interfaces 14 (7) (2022)
Linjie Deng, Xiyu Li, Guo-Zhen Zhang, Qiquan Luo, Li Yang, Jun Jiang
Utilizing High Coordination Diversity in Carbon Nanocone Supported Catalytic Single-Atom Sites for Screening of Optimal Activity. The journal of physical chemistry letters 13 (30) (2022)
Yiqiao Wang, Luyuan Zhao, Xuejie Zhou, Jian Zhang, Jun Jiang, Hao Dong
Global Fold Switching of the RafH Protein: Diverse Structures with a Conserved Pathway. The journal of physical chemistry. B 126 (16) (2022)
Xingshun Wu, Jialiang Chen, Ming Wang, Xiaoyu Li, Li Yang, Guang Li, Lei Shan, Xiyu Li, Yunxiang Lin, Jun Jiang
High-curvature carbon-supported Ni single atoms with charge polarization for highly efficient CO 2 reduction. Chemical communications (Cambridge, England) 58 (17) (2022)
Junyi Du, Yan Huang, Zixiang Huang, Geng Wu, Bei Wu, Xiao Han, Cai Chen, Xusheng Zheng, Pei-Xin Cui, Yuen Wu, Jun Jiang, Xun Hong
Reversing the Catalytic Selectivity of Single-Atom Ru via Support Amorphization. JACS Au 2 (5) (2022)
Fuxiang He, Xinguo Ren, Jun Jiang, Guo-Zhen Zhang, Lixin He
Real-Time, Time-Dependent Density Functional Theory Study on Photoinduced Isomerizations of Azobenzene Under a Light Field. The journal of physical chemistry letters 13 (2) (2022)
Baicheng Zhang, Xiaolong Zhang, Wenjie Du, Zhaokun Song, Guo-Zhen Zhang, Guoqing Zhang, Yang Wang, Xin Chen, Jun Jiang, Yi Luo
Chemistry-informed molecular graph as reaction descriptor for machine-learned retrosynthesis planning. Proceedings of the National Academy of Sciences of the United States of America 119 (41) (2022)
Xijun Wang, Shuang Jiang, Wei Hu, Sheng Ye, Tairan Wang, Fan Wu, Li Yang, Xiyu Li, Guo-Zhen Zhang, Xin Chen, Jun Jiang, Yi Luo
Quantitatively Determining Surface-Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning. Journal of the American Chemical Society 144 (35) (2022)
Yuanyuan Chong, Xiaolong Zhang, Biao Chen, Ran Liu, Ziye Wu, Guoqing Zhang, Jun Jiang, Shaul Mukamel, Guo-Zhen Zhang
Modulating Charge Separation and Intersystem Crossing in Donor-Switch-Acceptor Systems: A Computational Study. The journal of physical chemistry. A 125 (15) (2021)
Wenhui Zhong, Yue Qiu, Hujun Shen, Xijun Wang, Jianyong Yuan, Chuanyi Jia, Siwei Bi, Jun Jiang
Electronic Spin Moment As a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N. Journal of the American Chemical Society 143 (11) (2021)
Fan Wu, Shaoqi Zhan, Li Yang, Zhiwen Zhuo, Xijun Wang, Xiyu Li, Yi Luo, Jun Jiang
Spatial Confinement of a Carbon Nanocone for an Efficient Oxygen Evolution Reaction. The journal of physical chemistry letters 12 (9) (2021)
Zhongtao Feng, Yuanyuan Chong, Shuxuan Tang, Yong Fang, Yue Zhao, Jun Jiang, Xinping Wang
A stable triplet diradical emitter. Chemical science 12 (45) (2021)
Qian Dang, Shaobin Tang, Tianyong Liu, Xiaokang Li, Xijun Wang, Wenhui Zhong, Yi Luo, Jun Jiang
Regulating Electronic Spin Moments of Single-Atom Catalyst Sites via Single-Atom Promoter Tuning on S-Vacancy MoS2 for Efficient Nitrogen Fixation. The journal of physical chemistry letters 12 (34) (2021)
Rongrong Pan, Min Hu, Jia Liu, Dongfeng Li, Xiaodong Wan, Hongzhi Wang, Yuemei Li, Xiuming Zhang, Xiuli Wang, Jun Jiang, JiaTao Zhang
Two-Dimensional All-in-One Sulfide Monolayers Driving Photocatalytic Overall Water Splitting. Nano letters 21 (14) (2021)
Luyuan Zhao, Jinxiao Zhang, Yaolong Zhang, Sheng Ye, Guo-Zhen Zhang, Xin Chen, Bin Jiang, Jun Jiang
Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors. JACS Au 1 (12) (2021)
Sheng Ye, Guo-Zhen Zhang, Jun Jiang
AI-based spectroscopic monitoring of real-time interactions between SARS-CoV-2 and human ACE2. Proceedings of the National Academy of Sciences of the United States of America 118 (26) (2021)
Jinxiao Zhang, Sheng Ye, Kai Zhong, Yaolong Zhang, Yuanyuan Chong, Luyuan Zhao, Huiting Zhou, Sibei Guo, Guo-Zhen Zhang, Bin Jiang, Shaul Mukamel, Jun Jiang
A Machine-Learning Protocol for Ultraviolet Protein-Backbone Absorption Spectroscopy under Environmental Fluctuations. The journal of physical chemistry. B 125 (23) (2021)
Min Hu, Qing Zhu, Yuan Zhao, Guo-Zhen Zhang, Chong-Wen Zou, Oleg V Prezhdo, Jun Jiang
Facile Removal of Bulk Oxygen Vacancy Defects in Metal Oxides Driven by Hydrogen-Dopant Evaporation. The journal of physical chemistry letters 12 (39) (2021)
Huiting Zhou, Fuxiang He, Yuanyuan Chong, Lixin He, Jun Jiang, Yi Luo, Guo-Zhen Zhang
Bridged Azobenzene Enables Dynamic Control of Through-Space Charge Transfer for Photochemical Conversion. The journal of physical chemistry letters 12 (16) (2021)
Ke Ye, Min Hu, Qin-Kun Li, Yi Luo, Jun Jiang, Guo-Zhen Zhang
Cooperative Single-Atom Active Centers for Attenuating the Linear Scaling Effect in the Nitrogen Reduction Reaction. The journal of physical chemistry letters 12 (22) (2021)
Xijun Wang, Sheng Ye, Wei Hu, Edward Sharman, Ran Liu, Yan Liu, Yi Luo, Jun Jiang
Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface-Molecular Adsorbate Interactions. Journal of the American Chemical Society 142 (17) (2020)
Zhaowu Wang, Xijun Wang, Edward Sharman, Xiyu Li, Li Yang, Guo-Zhen Zhang, Jun Jiang
Tuning Phase Transitions in Metal Oxides by Hydrogen Doping: A First-Principles Study. The journal of physical chemistry letters 11 (3) (2020)
Yun-Nan Gong, Wenhui Zhong, Yang Li, Yunze Qiu, Lirong Zheng, Jun Jiang, Hai-Long Jiang
Regulating Photocatalysis by Spin-State Manipulation of Cobalt in Covalent Organic Frameworks. Journal of the American Chemical Society 142 (39) (2020)
Yangguang Hu, Fei Zhan, Qian Wang, Yujian Sun, Can Yu, Xuan Zhao, Hao Wang, Ran Long, Guo-Zhen Zhang, Chao Gao, Wenkai Zhang, Jun Jiang, Ye Tao, Yujie Xiong
Tracking Mechanistic Pathway of Photocatalytic CO2 Reaction at Ni Sites Using Operando, Time-Resolved Spectroscopy. Journal of the American Chemical Society 142 (12) (2020)
Xijun Wang, Chuanyi Jia, Edward Sharman, Guo-Zhen Zhang, Xin Li, Jun Jiang
Carbon Monoxide Oxidation Promoted by Surface Polarization Charges in a CuO/Ag Hybrid Catalyst. Scientific reports 10 (1) (2020)
Qing Zhu, Ke Ye, Wen Zhu, Wenjie Xu, Chong-Wen Zou, Li Song, Edward Sharman, Linjun Wang, Shunyu Jin, Guo-Zhen Zhang, Yi Luo, Jun Jiang
A Hydrogenated Metal Oxide with Full Solar Spectrum Absorption for Highly Efficient Photothermal Water Evaporation. The journal of physical chemistry letters 11 (7) (2020)

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Jun Jiang