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Journal of Chemical Information and Modeling|September 29, 2025
PSCG-Net: A Multiscale Crystal Graph Neural Network for Accelerated Materials DiscoveryGuangyao Chen, Zhilong Wang, Fengqi YouAdvanced Materials (Deerfield Beach, Fla.)|May 12, 2025
Empowering Generalist Material Intelligence with Large Language ModelsWenhao Yuan, Guangyao Chen, Zhilong Wang, et al.Chemical Science|June 3, 2026
Rethinking peptide developability with sequence-only models: interpretable screening of microplastic-binding peptides with gated query poolingGuangyao Chen, Fengqi YouNature Computational Science|May 9, 2025
Leveraging generative models with periodicity-aware, invertible and invariant representations for crystalline materials designZhilong Wang, Fengqi YouNature Computational Science|February 19, 2026
A dynamic routing-guided interpretable framework for salt-solvent chemistryZhilong Wang, Fengqi YouScience Advances|April 1, 2026
Bridging electron microscopy and materials analysis with an autonomous agentic platformGuangyao Chen, Wenhao Yuan, Fengqi YouMaterials Horizons|December 8, 2025
Machine learning pipelines for the design of solid-state electrolytesVinamr Jain, Zhilong Wang, Fengqi YouScience Advances|November 26, 2025
Toward AI ecosystems for electrolyte and interface engineering in solid-state batteriesZhilong Wang, Wolfgang G Zeier, Fengqi YouACS Nano|November 1, 2024
Interpretable Surrogate Learning for Electronic Material GenerationZhilong Wang, Sixian Liu, Kehao Tao, et al.Applied Energy|September 20, 2021
Can decontamination and reuse of N95 respirators during COVID-19 pandemic provide energy, environmental, and economic benefits?Yanqiu Tao, Fengqi YouPageof 33