Selected first-author and co-first-author publications only. For the complete list, see CV or Google Scholar.
Deep Research with Local-Web RAG: Toward Automated System-Level Materials Discovery
Rui Ding*, Rodrigo P. Ferreira*, Yuxin Chen, Junhong Chen
NeurIPS 2025 AI4Mat Workshop
arXiv:2511.18303
Neuromorphic Random Walk for Experimental Phosphate Adsorption Modeling
Rodrigo P. Ferreira*, Rui Ding*, Rapti Ghosh, Haihui Pu, Junhong Chen
NeurIPS 2025 ML4PS Workshop
Leveraging Data Mining, Active Learning, and Domain Adaptation in a Multi-Stage, Machine Learning-Driven Approach for the Efficient Discovery of Advanced Acidic Oxygen Evolution Electrocatalysts
Rui Ding, Jianguo Liu, Kang Hua, Xuebin Wang, Xiaoben Zhang, Minhua Shao, Yuxin Chen, Junhong Chen
Science Advances 2025, 11, eadr9038
DOI: 10.1126/sciadv.adr9038
Unlocking the Potential: Machine Learning Applications in Electrocatalyst Design for Electrochemical Hydrogen Energy Transformation
Rui Ding, Junhong Chen, Yuxin Chen, Jianguo Liu, Yoshio Bando, Xuebin Wang
Chemical Society Reviews 2024, 53, 11390-11461
Journal Cover
DOI: 10.1039/D4CS00844H
Expediting Field-Effect Transistor Chemical Sensor Design with Neuromorphic Spiking Graph Neural Networks
Rodrigo P. Ferreira*, Rui Ding*, Fengxue Zhang, Haihui Pu, Claire Donnat, Yuxin Chen, Junhong Chen
Molecular Systems Design & Engineering 2025, 10, 345-356
Journal Cover
DOI: 10.1039/D4ME00203B
Leveraging Artificial Intelligence and Machine Learning to Accelerate Material Discovery in Water Applications
Rui Ding, Haihui Pu, Kuldip Kumar, Jonathan S. Grabowy, et al., Yuxin Chen, Junhong Chen
Under Review, Nature Water
Designing AI-Aided Analysis and Prediction Models for Nonprecious Metal Electrocatalyst-Based Proton Exchange Membrane Fuel Cells
Rui Ding, Ran Wang, Yiqin Ding, Wenjuan Yin, Yide Liu, Jia Li, Jianguo Liu
Angewandte Chemie International Edition 2020, 59, 19175-19183
DOI: 10.1002/anie.202006928
Machine Learning-Guided Discovery of Underlying Decisive Factors and New Mechanisms for the Design of Nonprecious Metal Electrocatalysts
Rui Ding, Yawen Chen, Ping Chen, Ran Wang, Jiankang Wang, et al.
ACS Catalysis 2021, 11, 9798-9808
DOI: 10.1021/acscatal.1c01473
Unlocking New Insights for Electrocatalyst Design: A Unique Data Science Workflow Leveraging Internet-Sourced Big Data
Rui Ding, Xuebin Wang, Aidong Tan, Jia Li, Jianguo Liu
ACS Catalysis 2023, 13, 13267-13281
DOI: 10.1021/acscatal.3c03453
Applying Machine Learning to Boost the Development of High-Performance Membrane Electrode Assembly for Proton Exchange Membrane Fuel Cells
Rui Ding, Yiqin Ding, Hongyu Zhang, Ran Wang, et al.
Journal of Materials Chemistry A 2021, 9, 6841-6850
Inside Cover
DOI: 10.1039/D0TA12571G
Facile Grafting Strategy Synthesis of Single-Atom Electrocatalyst with Enhanced ORR Performance
Rui Ding, Yide Liu, Zhiyan Rui, Jia Li, Jianguo Liu, Zhigang Zou
Nano Research 2020, 13, 1519-1526
Back Cover
DOI: 10.1007/s12274-020-2764-0
Inspecting Design Rules of Metal-Nitrogen-Carbon Catalysts for Electrochemical CO2 Reduction Reaction: From a Data Science Perspective
Rui Ding, Meng Ma, Yawen Chen, Xuebin Wang, Jia Li, Guoxiong Wang, Jianguo Liu
Nano Research 2023, 16, 264-280
DOI: 10.1007/s12274-022-4763-y
Atomically Dispersed, Low-Coordinate Co-N Sites on Carbon Nanotubes as Inexpensive and Efficient Electrocatalysts for Hydrogen Evolution
Rui Ding, Yawen Chen, Xiaoke Li, Zhiyan Rui, et al.
Small 2022, 18, 2105335
DOI: 10.1002/smll.202105335
Guiding the Optimization of Membrane Electrode Assembly in a Proton Exchange Membrane Water Electrolyzer by Machine Learning Modeling and Black-Box Interpretation
Rui Ding, Yawen Chen, Zhiyan Rui, Kang Hua, et al.
ACS Sustainable Chemistry & Engineering 2022, 10, 4561-4578
DOI: 10.1021/acssuschemeng.1c08139
Application of Machine Learning in Optimizing Proton Exchange Membrane Fuel Cells: A Review
Rui Ding, Shiqiao Zhang, Yawen Chen, Zhiyan Rui, et al.
Energy and AI 2022, 9, 100170
DOI: 10.1016/j.egyai.2022.100170
Machine Learning Utilized for the Development of Proton Exchange Membrane Electrolyzers
Rui Ding, Yawen Chen, Zhiyan Rui, Kang Hua, et al.
Journal of Power Sources 2023, 556, 232389
DOI: 10.1016/j.jpowsour.2022.232389
Effectively Increasing Pt Utilization Efficiency of the Membrane Electrode Assembly in Proton Exchange Membrane Fuel Cells through Multiparameter Optimization Guided by Machine Learning
Rui Ding*, Wenjuan Yin*, Gang Cheng, Yawen Chen, et al.
ACS Applied Materials & Interfaces 2022, 14, 8010-8024
DOI: 10.1021/acsami.1c21956
Boosting the Optimization of Membrane Electrode Assembly in Proton Exchange Membrane Fuel Cells Guided by Explainable Artificial Intelligence
Rui Ding*, Wenjuan Yin*, Gang Cheng, Yawen Chen, et al.
Energy and AI 2021, 5, 100098
DOI: 10.1016/j.egyai.2021.100098
* denotes equal contribution