Zhang Research Lab

Polymers and soft matter are ubiquitous in both biological and synthetic systems. Their complex structural and dynamical behaviors, resulting from atomistic and molecular interactions, lead to various assembled structures and different material properties. To develop materials with desired properties, predicting the assembly of polymers and soft matter from their molecular structures and processing conditions is essential. 

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Our research aims to quantify the effects of molecular architectures on the static and dynamic behaviors of polymers and soft matter at the microscopic level using atomistic simulations. We also use coarse-grained simulations and statistical mechanics theories to bridge the gap in length and time scales between the atomistic simulations and the more macroscopic observations and measurements in experiments. Altogether, we expect to use multi-scale simulations and theories to guide the rational design of high-performance soft materials. 

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Our research interests include:

• Phase behaviors and crystallization of recycled polymers

• Computational assembly of polyrotaxanes and psuedopolyrotaxanes for 3D printing (collaboration with Prof. Chenfeng Ke)

• Impacts of nanoplastics on biological membranes