Zhilong Wang   汪志龙 Eric and Schmidt AI in Science Postdoc Fellow Systems Engineering   Cornell University   Ithaca, New York, US 14853-3801 Email: zhilongwang.ai@gmail.com Google Scholar: https://scholar.google.com/citations?hl=en&user=UOZ_oIEAAAAJ Github: https://github.com/CodingWZL Scopus ID: 57215204356 ORCID: 0000-0002-1910-3654 ResearchGate: https://www.researchgate.net/profile/Zhilong-Wang Researcher ID: HTN-0194-2023

My research interests are mainly in material genomics and material informatics. At present, I combine computer science (machine learning, deep learning, data mining) with materials science (high-throughput first-principles calculations) to realize the rapid discovery and design of materials and shorten the research and development cycle of materials. The target material systems include energy materials (electrode, solid electrolyte, photovoltaic thin-film), environmental materials (adsorbent), biological macromolecular materials (protein), etc. I have published many SCI papers in high-impact journals as the first/co-first author, with the total > 1000 citations and an h-index of 22.

Publications as the first/co-first author: Nature Computational Science (1), Joule (1), Advanced Materials (1), Advanced Energy Materials (1), npj Computational Materials (3), ACS Nano (2), Energy Storage Materials (5), Nano Energy (3), ACS Materials Letters (1), Journal of Physical Chemistry Letters (1), Small (1), SmartMat (1), Next Materials (1), Journal of Energy Chemistry (2), ACS Applied Materials & Interfaces (2), Chemical Engineering Journal (1), Chinese Chemical Letters (1), Computational Materials Science (1), Cell Reports Physical Science (1), Journal of Physical Chemistry B (1).

• Zhilong Wang, Fengqi You*. Leveraging generative models with periodicity-aware, invertible and invariant representations for crystalline materials design. Nature Computational Science 10.1038/s43588-025-00797-7 (2025). View Article

• Yeyang Jia^#, Zhilong Wang^#, Zhiyuan Han^#, Junfeng Li, Mengtian Zhang, Zhoujie Lao, Yanqiang Han, Runhua Gao, Jing Gao, Zhiyang Zheng, An Chen, Hong Li, Rui Mao, Kehao Tao, Jinjin Li*, Guangmin Zhou*. Variable and Intelligent Catalyst Design Based on Local Chemical Environments in Sulfur Redox Reactions. Joule 101878 (2025). View Article

• Zhilong Wang, An Chen, Kehao Tao, Yanqiang Han, Jinjin Li*. MatGPT: A Vane of Materials Informatics from Past, Present, to Future. Advanced Materials 36, 6, 2306733 (2024). View Article

• Zhilong Wang^#, Sixian Liu^#, Kehao Tao, An Chen, Hongxiao Duan, Yanqiang Han, Fengqi You*, Gang Liu*, Jinjin Li*. Interpretable Surrogate Learning for Electronic Materials Generation. ACS Nano 18, 49, 33587–33601 (2024). Front Cover View Article

• Cheng Lu^#, Zhilong Wang^#, Jing Gao, Jinjin Li*, Liangming Wei*. Synergistic Effect of Anodic Hydrophilic and Hydrophobic Interfaces for Long Cycle Life Aqueous Aluminum-Zinc Hybrid Ion Batteries. Advanced Energy Materials 14, 16 2304016 (2024). View Article

• Kehao Tao^#, Zhilong Wang^#, Zhoujie Lao, An Chen, Yanqiang Han, Lei Shi, Guangmin Zhou*, Jinjin Li*. Transformer Enables Ion Transport Behavior Evolution and Conductivity Regulation for Solid Electrolyte. Energy Storage Materials 71, 103555 (2024). View Article

• Fengfeng Han^#, Zhilong Wang^#, Qi Jin, Liwen Fan, Kehao Tao, Lu Li, Lei Shi, Hui-Qing Lu, Zhiguo Zhang, Jinjin Li*, Xitian Zhang*, Lili Wu*. High-Entropy Alloy Electrocatalysts Bidirectionally Promote Lithium Polysulfide Conversions for Long-Cycle-Life Lithium–Sulfur Batteries. ACS Nano 18, 23, 15167–15176 (2024). View Article

• An Chen^#, Zhilong Wang^#, Karl Luigi Loza Vidaurre, Yanqiang Han, Simin Ye, Kehao Tao, Shiwei Wang, Jing Gao, Jinjin Li*. Knowledge-Reused Transfer Learning for Molecular and Materials Science. Journal of Energy Chemistry 98, 149-168 (2024). View Article

• Cheng Lu^#, Zhilong Wang^#, Yu Zhang, Gen Tang, Yue Wang, Xiang Guo, Jinjin Li*, Liangming Wei*. Aqueous Aluminum-zinc Hybrid Ion Batteries with Urea-based Hydrated Eutectic Electrolytes. Nano Energy 120, 109158 (2024). View Article

• Chi Zhang^#, Zhilong Wang^#, Xinyue Wang, Yufei Zhang, Zhiguo Zhang, An Chen, Jinjin Li*, Xitian Zhang*, Lili Wu*. Chip−like High−entropy Oxide Catalysts Enhance Fast Sulfur Evolution Reaction for Long−life Lithium−sulfur Batteries. Chinese Chemical Letters 110551 (2024). View Article

• Zhilong Wang^#, An Chen^#, Kehao Tao^#, Junfei Cai, Yanqiang Han, Jing Gao, Simin Ye, Shiwei Wang, Imran Ali, Jinjin Li*. AlphaMat: A material Informatics Hub Connecting Data, Features, Models and Applications. npj Computational Materials 9, 130 (2023). View Article

• Zhilong Wang, Jing Gao, Kehao Tao, Yanqiang Han, An Chen, Jinjin Li*. IonML: A Physically Inspired Machine Learning Platform for Directed Design Superionic Conductors. Energy Storage Materials 59, 102781 (2023). Cover Image View Article

• Zhilong Wang, Yifei Mo*, Jinjin Li*. Machine Learning for New Material Prediction, What's Next?. Next Materials 1, 1, 100005 (2023). View Article

• Zhilong Wang, Yanqiang Han, Junfei Cai, An Chen, Jinjin Li*. An End-to-End Artificial Intelligence Platform Enables Real-Time Assessment of Superionc Conductors. SmartMat 4, 6, e1183 (2023). View Article

• Jing Gao^#, Zhilong Wang^#, Yanqiang Han, Mingyu Gao, Jinjin Li*. CEEM: A Chemically Explainable Deep Learning Platform for Identifying Compounds with Low Effective Mass. Small 20, 4, 2305918 (2023). View Article

• Kehao Tao^#, Zhilong Wang^#, Yanqiang Han, Jinjin Li*. Rapid Discovery of Inorganic-organic Solid Composite Electrolytes by Unsupervised Learning. Chemical Engineering Journal 454, 140151 (2023). View Article

• Zhilong Wang, Yanqiang Han, Junfei Cai, An Chen, Jinjin Li*. Vision for Energy Material Design: A Roadmap for Integrated Data-driven Modeling. Jounral of Energy Chemistry 71, 56-62 (2022). View Article

• Zhilong Wang, Xiao Zheng, An Chen, Yanqiang Han, Liangming Wei, Jinjin Li*. Unraveling the Anchoring Effect of MXene-Supported Single Atoms as Cathodes for Aluminum–Sulfur Batteries. ACS Materials Letters 4, 8, 1436-1445 (2022). View Article

• Zhilong Wang, Yanqiang Han, Junfei Cai, Sicheng Wu, Jinjin Li*. DeepTMC: A Deep Learning Platform to Targeted Design Doped Transition Metal Compounds. Energy Storage Materials 45, 1201-1211 (2022). View Article

• Zhilong Wang, Yanqiang Han, Xirong Lin, Junfei Cai, Sicheng Wu, Jinjin Li*. An Ensemble Learning Platform for the Large-Scale Exploration of New Double Perovskites. ACS Applied Materials & Interfaces 14, 1, 717-725 (2022). View Article

• Zhilong Wang^#, Junfei Cai^#, Yanqiang Han, Tianli Han, An Chen, Simin Ye, Jinyun Liu*, Jinjin Li*. Computing Screening of Spinel Cathodes for Li-ion Battery with Low Expansion and Rapid Ion Kinetics. Computational Materials Science 204, 111187 (2022). View Article

• Haikuo Zhang^#, Zhilong Wang^#, Junfei Cai, Sicheng Wu, Jinjin Li*. Machine-Learning-Enabled Tricks of the Trade for Rapid Host Material Discovery in Li–S Battery. ACS Applied Materials & Interfaces 13, 45, 53388-53397 (2021). View Article

• Zhilong Wang, Xirong Lin, Yanqiang Han, Junfei Cai, Sicheng Wu, Xing Yu, Jinjin Li*. Harnessing Artificial Intelligence to Holistic Design and Identification for Solid Electrolytes. Nano Energy 89, 106337 (2021). View Article

• Zhilong Wang, Qingxun Wang, Yanqiang Han, Yan Ma, Hua Zhao, Andrzej Nowak, Jinjin Li*. Deep Learning for Ultra-fast and High Precision Screening of Energy Materials. Energy Storage Materials 39, 45-53 (2021). View Article

• Zhilong Wang, Junfei Cai, Qingxun Wang, Sicheng Wu, Jinjin Li*. Unsupervised Discovery of Thin-film Photovoltaic Materials from Unlabeled Data. npj Computational Materials 7, 128 (2021). View Article

• Zhilong Wang, Haikuo Zhang, Jinjin Li*. Accelerated Discovery of Stable Spinels in Energy Systems via Machine Learning. Nano Energy 81, 105665 (2021). View Article

• Zhilong Wang^#, Haikuo Zhang^#, Jiahao Ren, Xirong Lin, Tianli Han, Jinyun Liu*, Jinjin Li*. Predicting Adsorption Ability of Adsorbents at Arbitrary Sites for Pollutants using Deep Transfer Learning. npj Computational Materials 7, 19 (2021). View Article

• Haikuo Zhang^#, Zhilong Wang^#, Jiahao Ren, Jinyun Liu*, Jinjin Li*. Ultra-fast and Accurate Binding Energy Prediction of Shuttle Effect-Suppressive Sulfur Hosts for Lithium-Sulfur Batteries Using Machine Learning. Energy Storage Materials 35, 88-98 (2021). View Article

• Yanqiang Han^#, Zhilong Wang^#, Jinjin Li*. Neural Networks Accelerate the Ab initio Prediction of Solid-Solid Phase Transitions at High Pressures. Journal of Physical Chemistry Letters 12, 1, 132-137 (2021). View Article

• Lin Zhang^#, Zhilong Wang^#, Zhiyun Wei*, Jinjin Li*. Unsupervised Assisted Directional Design of Chemical Reactions. Cell Reports Physical Science 1, 100269 (2021). View Article

• Zhilong Wang^#, Yanqiang Han, Jinjin Li*, Xiao He*. Combining the Fragmentation Approach and Neural Network Potential Energy Surfaces of Fragments for Accurate Calculation of Protein Energy. Journal of Physical Chemistry B 124, 15, 3027-3035 (2020). View Article

Last updated by Zhilong Wang on 20, Feb, 2025.

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