Publications

See the full list at 「Google Scholar」

2025

  1. JACS
    Superionic Ionic Conductor Discovery via Multiscale Topological Learning
    Dong Chen†, Bingxu Wang†, Shunning Li, Wentao Zhang, Kai Yang, Yongli Song, Guo-Wei Wei, and Feng Pan
    Journal of the American Chemical Society, 2025
    DOI HTML
  2. Digit. Discov.
    Artificial intelligence approaches for anti-addiction drug discovery
    Dong Chen, Jian Jiang, Nicole Hayes, Zhe Su, and Guowei Wei
    Digital Discovery, 2025
  3. JMCA
    Category-specific topological learning of metal–organic frameworks
    Dong Chen, Chun-Long Chen, and Guo-Wei Wei
    Journal of Materials Chemistry A, 2025
  4. JMCA
    Enhancing energy predictions in multi-atom systems with multiscale topological learning
    Dong Chen, Rui Wang, Guowei Wei, and Feng Pan
    Journal of Materials Chemistry A, 2025

2024

  1. Nat. Mach. Intell.
    Multiscale topology-enabled structure-to-sequence transformer for protein–ligand interaction predictions
    Dong Chen, Jian Liu, and Guo-Wei Wei
    Nature Machine Intelligence, 2024
    DOI HTML
  2. Adv. Sci.
    Drug Resistance Predictions Based on a Directed Flag Transformer
    Dong Chen, Gengzhuo Liu, Hongyan Du, Benjamin Jones, Junjie Wee, Rui Wang, Jiahui Chen, Jana Shen, and Guo-Wei Wei
    Advanced Science, 2024
    DOI HTML
  3. ArXiv
    Persistent interaction topology in data analysis
    Jian Liu, Dong Chen, and Guo-Wei Wei
    Arxiv Preprint Arxiv:2404.11799, 2024
  4. JCBC
    Special Issue on Artificial Intelligence in Biophysics and Chemistry
    Dong Chen, Jian Jiang, and Menglun Wang
    Journal of Computational Biophysics and Chemistry, 2024

2023

  1. JPCL
    Path topology in molecular and materials sciences
    Dong Chen, Jian Liu, Jie Wu, Guo-Wei Wei, Feng Pan, and Shing-Tung Yau
    The Journal of Physical Chemistry Letters, 2023
    DOI HTML
  2. FoDS
    Persistent hyperdigraph homology and persistent hyperdigraph Laplacians
    Dong Chen, Jian Liu, Jie Wu, and Guo-Wei Wei
    Foundations of Data Science, 2023
  3. JCIM
    Tidal: topology-inferred drug addiction learning
    Zailiang Zhu, Bozheng Dou, Yukang Cao, Jian Jiang, Yueying Zhu, Dong Chen, Hongsong Feng, Jie Liu, Bengong Zhang, Tianshou Zhou, and Guo-Wei Wei
    Journal of Chemical Information and Modeling, 2023
  4. Small
    Correlating Rate‐Dependent Transition Metal Dissolution between Structure Degradation in Li‐Rich Layered Oxides
    Bo Cao, Tianyi Li, Wenguang Zhao, Liang Yin, Hongbin Cao, Dong Chen, Luxi Li, Feng Pan, and Mingjian Zhang
    Small, 2023
  5. CJSC
    Application of topology-based structure features for machine learning in materials science
    Shisheng Zheng, Haowen Ding, Shunning Li, Dong Chen, and Feng Pan
    Chinese Journal of Structural Chemistry, 2023
  6. JCBC
    Neighborhood path complex for the quantitative analysis of the structure and stability of carboranes
    Jian Liu, Dong Chen, Feng Pan, and Jie Wu
    Journal of Computational Biophysics and Chemistry, 2023
  7. Algebraic graph-based machine learning model for Li-cluster prediction
    Shengming Ma, Shisheng Zheng, Wentao Zhang, Dong Chen, and Feng Pan
    The Journal of Physical Chemistry a, 2023
  8. ArXiv
    Interaction homotopy and interaction homology
    Jian Liu, Dong Chen, and Guo-Wei Wei
    Arxiv Preprint Arxiv:2311.16322, 2023

2022

  1. Wiley Inter. Rev.
    Encoding the atomic structure for machine learning in materials science
    Shunning Li, Yuanji Liu, Dong Chen, Yi Jiang, Zhiwei Nie, and Feng Pan
    Wiley Interdisciplinary Reviews: Computational Molecular Science, 2022
  2. JCTC
    Machine learning analysis of cocaine addiction informed by DAT, SERT, and NET-based interactome networks
    Hongsong Feng, Kaifu Gao, Dong Chen, Li Shen, Alfred J Robison, Edmund Ellsworth, and Guo-Wei Wei
    Journal of Chemical Theory and Computation, 2022
  3. CMB
    Neighborhood hypergraph model for topological data analysis
    Jian Liu, Dong Chen, Jingyan Li, and Jie Wu
    Computational and Mathematical Biophysics, 2022

2021

  1. Nat. Commun.
    Algebraic graph-assisted bidirectional transformers for molecular property prediction
    Dong Chen, Kaifu Gao, Duc Duy Nguyen, Xin Chen, Yi Jiang, Guo-Wei Wei, and Feng Pan
    Nature Communications, 2021
    DOI HTML
  2. npj Comput. Mater.
    Topological representations of crystalline compounds for the machine-learning prediction of materials properties
    Yi Jiang, Dong Chen, Xin Chen, Tangyi Li, Guo-Wei Wei, and Feng Pan
    npj Computational Materials, 2021
  3. JPCL
    Extracting predictive representations from hundreds of millions of molecules
    Dong Chen, Jiaxin Zheng, Guo-Wei Wei, and Feng Pan
    The Journal of Physical Chemistry Letters, 2021
  4. JPCL
    Proteome-informed machine learning studies of cocaine addiction
    Kaifu Gao, Dong Chen, Alfred J Robison, and Guo-Wei Wei
    The Journal of Physical Chemistry Letters, 2021
  5. Topological representations of crystalline compounds for the machine-learning prediction of materials properties. npj Computational Materials 7 (28)(2021)
    Yi Jiang, Dong Chen, Xin Chen, Tangyi Li, Guo-Wei Wei, and Feng Pan
    Article, 2021, 2021

2020

  1. JPCL
    Topology-based machine learning strategy for cluster structure prediction
    Xin Chen, Dong Chen, Mouyi Weng, Yi Jiang, Guo-Wei Wei, and Feng Pan
    The Journal of Physical Chemistry Letters, 2020
  2. CJSC
    Persistent homology for the quantitative analysis of the structure and stability of carboranes
    Feng Pan Dong Chen, Mingzheng Zhang, Haibiao Chen, Zuowei Xie, and Guo-wei Wei
    Chinese Journal of Structural Chemistry, 2020

2019

  1. SCTS
    A new MaterialGo database and its comparison with other high-throughput electronic structure databases for their predicted energy band gaps
    JianShu Jie, MouYi Weng, ShunNing Li, Dong Chen, ShuCheng Li, WeiJi Xiao, JiaXin Zheng, Feng Pan, and LinWang Wang
    Science China Technological Sciences, 2019
  2. Sci. Bull.
    Discovering unusual structures from exception using big data and machine learning techniques
    Jianshu Jie, Zongxiang Hu, Guoyu Qian, Mouyi Weng, Shunning Li, Shucheng Li, Mingyu Hu, Dong Chen, Weiji Xiao, Jiaxin Zheng, Lin-Wang Wang, and Feng Pan
    Science Bulletin, 2019
  3. JMCA
    High throughput identification of Li ion diffusion pathways in typical solid state electrolytes and electrode materials by BV-Ewald method
    Dajun Chen, Jianshu Jie, Mouyi Weng, Shucheng Li, Dong Chen, Feng Pan, and Lin-Wang Wang
    Journal of Materials Chemistry A, 2019
  4. SCTS
    A descriptor of “material genes”: Effective atomic size in structural unit of ionic crystals
    Dong Chen, ShunNing Li, JianShu Jie, SiBai Li, ShiSheng Zheng, MouYi Weng, ChangCheng Yu, ShuCheng Li, DaJun Chen, and Feng Pan
    Science China Technological Sciences, 2019

2016

  1. Electrochim. Acta
    Low-temperature prepared carbon electrodes for hole-conductor-free mesoscopic perovskite solar cells
    Guoqiang Yue, Dong Chen, Peng Wang, Jing Zhang, Ziyang Hu, and Yuejin Zhu
    Electrochimica Acta, 2016

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