Research

AI-Driven Materials Labs

In an emerging research paradigm, we are building AI-driven labs that integrate automated experimenting with artificial intelligence-guided data interpretentation and decision-making to synthesize and evaluate new materials.

Selected Publications:

  • 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.

  • N. J. Szymanski, C. J. Bartel, Y. Zeng, Q. Tu, and G. Ceder, Probabilistic Deep Learning Approach to Automate the Interpretation of Multi-phase Diffraction Spectra, Chem. Mater. 2021, 33 (11), 4204–4215.


Energy Materials

Innovative materials play a critical role in achieving a net-zero future. Our focus is to develop alternative high-performing materials for next-generation energy storage techniques through design, synthesis, and electrochemical analysis. We closely collaborate with computational scientists on ab-initio modeling and beamline scientists on advanced in-situ characterizations at synchrotron and neutron facilities

All-solid-state batteries

High-entropy solid electrolytes

Selected Publications:

  • 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.

Process Engineering

Recycling end-of-life products offers unique opportunities for creating resilient domestic supply chains of critical metals. We develop efficient and sustainable chemical extraction, separation, and recovery processes in closed-loop by integrating modeling, automation, robotics, and AI.

Selected Publications:

  • 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.

  • X. Zhang, Y. Zeng*, Z. Li*. Enhanced hydromagnesite process for CO2 sequestration by desilication of serpentine ore in NaOH solution. Industrial & Engineering Chemistry Research 2020, 59(25): 11370–11380.

  • 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.