AI for Polymers and Soft Matter
Polymer physics has long been grounded in the study of linear homopolymers composed of identical repeating units. While these systems have enabled the development of predictive theories of chain conformation, entanglement, dynamics, and mechanical properties, they offer limited control over chemical sequence and molecular hierarchy. By contrast, sequence-controlled polymers—built from chemically distinct monomers in defined order—provide programmable molecular diversity reminiscent of biological macromolecules such as DNA and proteins. In synthetic systems, copolymers represent the simplest examples, where controlled monomer placement enables rational design of structure and properties. Beyond monomer sequence, polymer architecture offers an orthogonal dimension of control. Bottlebrush polymers, featuring a long backbone densely grafted with short side chains, can independently encode mechanical, physical, and biochemical functions, providing as a versatile platform for soft and biological materials innovation. The combination of sequence control and architectural complexity thus opens an unexplored frontier in polymer physics—one in which emergent properties are not simply observed but can be designed from first principles.
This research integrates four core aspects: (i) molecular design and automated synthesis, (ii) multi-scale assembly and mesoscopic structure, (iii) macroscopic nonlinear (mechanical, electric, magnetic, and optical) properties, and (iv) additive manufacturing. Integrating molecular theory, automated synthesis, advanced characterization, multi-scale modeling, and machine learning, we are accelerating the discovery of polymers with unusual, emergent properties and functions.
Current research directions include:
- Develop theory-informed, data-driven discovery framework that unites molecular theory, polymer design, automated synthesis, and in situ physical/structural characterization to accelerate polymer discovery
- Establish molecular design rules linking polymer sequence, architecture, and emergent function in sequence-defined bottlebrush polymers
- High-performance solid-state polymer electrolytes for advanced battery technologies
- Additive manufacturing of soft materials and nanocomposites