Abstract
The design of polymer materials with tailored properties is critical for advancing technologies in fields such as soft robotics and sustainable materials. Traditional trial-and-error approaches are slow and inefficient, underscoring the need for predictive models that capture the structure-property relationships of polymers. However, these relationships arise from the complex interplay of polymer structure and dynamics across wide spatial and temporal scales, posing a significant computational challenge.
In this talk, I will demonstrate how computational methods can address this multiscale problem. By employing a “topdown” coarse-graining approach combined with scaling theory, we develop a universal “design-by-architecture” framework to encode the mechanical behavior of biological materials in solvent-free graft polymer networks. These networks show biomimetic mechanical properties and offer exciting opportunities for applications in soft robotics and wearable devices.
Using a “bottom-up” multiscale modeling method, we can accurately and efficiently predict polymer bulk rheology directly from chemical structure without relying on experimental parameters. This approach paves the way for the accelerated development of recyclable polymers, where precise control of rheological behavior is essential for optimizing recycling processes. By combining universality with chemical specificity, these computational strategies offer a transformative path forward for the design of next-generation polymer materials.
Bio
Heyi Liang, Ph.D.
Postdoctoral Scholar
University of Chicago
Dr. Heyi Liang is currently a postdoctoral scholar at the University of Chicago Pritzker School of Molecular Engineering with Prof. Juan de Pablo, where he works on multiscale computational design of charged polymers and sustainable materials.
Dr. Liang earned his Ph.D. in Polymer Science from The University of Akron under the supervision of Prof. Andrey Dobrynin, where he used molecular dynamics simulation to study the structure-property relation of graft polymers as well as elastocapillary phenomena at the soft matter interface. He received B.S. in Macromolecular Materials and Engineering at Fudan University, where he worked on the protein-directed synthesis of gold nanomaterials by soy protein isolate.