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Building Autonomous Laboratories
Building Autonomous Laboratories
We build autonomous research platforms that integrate robotics, artificial intelligence, machine learning, modeling, and advanced characterization. These platforms plan and conduct experiments, learn from the results, and help researchers uncover reproducible insights into complex synthesis processes. Our team helped develop one of the first self-driving laboratories dedicated to energy materials, establishing a foundation for faster and more reliable materials discovery.
Our focuses: Laboratory automation · AI-guided experimentation · Materials synthesis · Mechanistic understanding
Selected Publications:
T. Zhao, Y. Zeng*. Active learning-guided polymorph control in co-precipitation synthesis. Small Methods 2026, 10(8), e02398.
A. Cooper, K. Darvish*, Y. Zeng, et al. Accelerating discovery in natural science laboratories with AI and robotics: Perspectives and challenges. Science Robotics 2025, 10, eadv7932.
X. Liu, B. Ouyang*, Y. Zeng*. Balancing autonomy and expertise in autonomous synthesis laboratories. Nature Computational Science 2025, 5, 92–94.
Y. Fei†, B. Rendy†, Y. Zeng*, G. Ceder*, et al. AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratories. Digital Discovery 2024.
N. J. Szymanski†, B. Rendy†, Y. Fei†, R.E. Kumar†, Y. Zeng*, G. Ceder*, et al. An autonomous laboratory for the accelerated synthesis of novel materials. Nature 2023, 624, 86–91.
N. J. Szymanski, Y. Zeng, H. Huo, C. Bartel, H. Kim, and G. Ceder*, Toward Autonomous Design and Synthesis of Novel Inorganic Materials. Mater. Horiz. 2021, 8 (8), 2169–2198.
All-solid-state batteries
High-entropy materials
Discoverying Energy Materials
Discoverying Energy Materials
We develop energy materials and investigate how synthesis pathways determine their structure, properties, and electrochemical performance. By revealing the mechanisms behind ion transport and metastable material formation, we establish design principles for new energy-storage materials, including lithium-ion batteries, solid-state batteries, and next-generation sodium-ion battery cathodes.
Our focuses: Materials synthesis · Solid-state chemistry · Ion transport · Advanced characterization
Selected Publications:
F. Strauss, Y. Zeng, et al. 2026 roadmap on next-generation solid electrolytes for battery applications. Materials Future 2026, 5, 033001.
X. Liu, Y. Zeng*, et al. Data mining the missing ordered phases of Li/Na metal oxides. Materials Today Energy 2026, 58, 102253.
Y. He, E. Scivally, A. Shaji, B. Ouyang*, Y. Zeng*. Unraveling the Fast Ionic Conduction in NASICON-Type Materials. Advanced Energy Materials 2024, 2403877.
B. Ouyang, Y. Zeng*. The rise of high-entropy battery materials. Nature Comm 2024, 15, 973.
Y. Zeng†, B. Ouyang†*, J. Liu, Y.W. Byeon, Z. Cai, L.J. Miara, Y. Wang, G. Ceder*. High-entropy mechanism to boost ionic conductivity. Science 2022, 378, 6626, 1320–1324.
K. Jun†, Y. Sun†, Y. Xiao, Y. Zeng, G. Ceder*, et al. Lithium superionic conductors with corner-sharing frameworks. Nature Materials 2022, 21 (8), 924-931.
N. J. Szymanski†, Y. Zeng†, G. Ceder*, et al. Understanding the fluorination of disordered rocksalt cathodes through rational exploration of synthesis pathways. Chemistry of Materials 2022, 34, 15, 7015–7028.
Y. Zeng, H.C. Chiu, B. Ouyang, K. Zaghib, G. P. Demopoulos*. Defect engineering of iron-rich orthosilicate cathode materials with enhanced lithium-ion intercalation capacity and kinetics. ACS Applied Energy Materials 2020, 3, 1, 675–686.
Exploring Alternative Pathways to Critical Materials
Exploring Alternative Pathways to Critical Materials
We develop efficient and sustainable chemical pathways for converting abundant mineral resources into critical energy materials. Our approach combines thermodynamics, solubility modeling, process chemistry, and autonomous optimization to identify new mineral-to-materials routes. Our work includes dry and solution-based processes for extracting lithium from spodumene, using abundant resources to produce critical energy materials, with the broader goal of strengthening sustainable and resilient critical-material supply chains.
Our focuses: Critical-mineral processing · Lithium extraction · Thermodynamic modeling · Process optimization
Selected Publications:
S. Wang, N. J. Szymanski, Y. Fei, W. Dong, J. N. Christensen, Y. Zeng*, M. Whittaker, G. Ceder*. Direct lithium extraction from α-spodumene through solid-state reactions for sustainable Li2CO3 production. Inorganic Chemistry 2024.
X. Zhang, X. Zeng, Y. Shan, Y. Zeng*, Z. Li*, E. Asselin. Solubility and modeling of Li2SO4·H2O in aqueous H2SO4–MgSO4 solutions for lithium extraction from spodumene. Journal of Chemical & Engineering Data 2022, 67 (4), 919-931.
Y. Zeng, G. P. Demopoulos*, et al. Hydrothermal crystallization of Pmn21 Li2FeSiO4 hollow mesocrystals for Li-ion cathode application. Chemical Engineering Journal 2019, 359: 1592–1602.
Y. Zeng, Z. Li*, G. P. Demopoulos. Process for glycine production by antisolvent crystallization using its phase equilibria in the ethylene glycol–NH4Cl–water system. Industrial & Engineering Chemistry Research 2016, 55(8): 2426−2437.
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