Molecular Foundry • Lawrence Berkeley National Laboratory
Yi Liu Group
Molecular Design and Discovery of Functional Materials
Research at the interface of molecules, polymers, frameworks, and composites
Our group develops organic and hybrid materials from the molecular level upward. We integrate precision synthesis, self-assembly, and data-driven approaches to understand structure-property relationships and create new electronic, dielectric, and porous materials for emerging technologies.
Our group develops organic and hybrid materials from the molecular level upward. We integrate precision synthesis, self-assembly, and data-driven approaches to understand structure-property relationships and create new electronic, dielectric, and porous materials for emerging technologies.
Current Research Directions
We design covalent and metal-organic frameworks with controlled structure, tunable electronic properties, and functions relevant to energy storage, separation, and catalysis.
Organic Electronics and Dielectric Materials
We synthesize molecular and polymeric semiconductors to understand how structure controls charge transport, optical response, and device-relevant electronic behavior.
We develop topochemical polymerization strategies that transform ordered molecular crystals and assemblies into structurally precise polymer materials.
Data-Driven Polymer and Composite Discovery
We use machine learning, molecular design, and experiment to accelerate the discovery of polymers and polymer composites for optoelectronic and energy-storage applications.
Featured Recent Work
Redirecting Topochemical Polymerization Pathways
J. Am. Chem. Soc. 2025, 147, 14715–14724
Reticular Frameworks in Dielectric Polymer Composites
Reticular Frameworks in Dielectric Polymer Composites
ML-Accelerated Discovery of Heat-Resistant Polysulfates
ML-Accelerated Discovery of Heat-Resistant Polysulfates
Latest News
Latest News
August 2026: Welcome new members Shenghua Yang, Haoxin Guo, and Sudheesh Ethirajan. Farewell to Qingsong and Zongliang and best wishes.
Feb 2026: PN cage hybrid polymers, invented by Chitnis group, are impressive dielectric materials. Congratulations to Lu, Maryam, Zongliang and all the coworkers on the latest Adv. Funct. Mater.
Feb 2026: Ashlin, Zongliang and Lu just shared their perspectives on framework-polymer dielectric composites in Energy Environ. Sci.
Feb 2026: AQM made its way in MOFs, microsupercapacitors and LiBs. Congratulations to Ziman, Chongqing, Yongqin, and all the coworkers on publishing this on Angew. Chem.
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