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Shao Research Group 

We are a group of people doing computational modeling in an engineering department. Our research theme is:

(1) to harvest fundamental knowledge of microscopic properties of soft materials and processes such as assembly, solvation and interfacial interactions

(2) to develop novel materials and processes based on the harvested knowledge.

We use density functional theory,  molecular dynamics simulations, coarse-grained modeling, enhanced sampling and other necessary computational methods that can help us achieve our goals. We also collaborate closely with experiments.  


We are looking for a highly motivated graduate researcher to join our group.  The research subject will be AI+simulation for protein design and understanding. If you are interested, please contact Dr. Shao via

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