TOPIC：Molecular Simulations of Interfaces in Complex Systems
SPEAKER：Dr.Qing Shao，the Department of Chemical and Biomolecular Engineering at North Carolina State University
TIME：June 5 (Wednesday)15:00pm 
LOCATION：Room 528， Chemistry A Building（化学A楼 528演讲厅）
INVITER：Prof.Huai Sun(孙淮 教授)
 
Abstract：

Interfaces govern the behavior of complex systems. For instance, nano-bio interfaces influence the performance of nanomedicines; electrolyte-anode interfaces affect the performance of batteries; and pore-substance interfaces determine the performance of membrane separations. Understanding and utilizing interfaces is critical for us to design materials and develop processes. Molecular simulations play a unique role here because they can depict the molecular structure at interfaces, predict the roles of interfaces in applications, and design interfaces with desired properties. Here we show three examples of how molecular simulations can be used to investigate interfaces in complex systems: (1) nano-bio interfaces, (2) zwitterionic anti-biofouling materials, and (3) carbon nanotube membranes. These three examples illustrate how we can translate real world problems to simulation questions, answer them in simulations and then translate simulation results to solutions for real world problems. 


 


Biography: 

 Qing Shao is a postdoctoral research scholar in Professor Carol Hall’s group in the Department of Chemical and Biomolecular Engineering at North Carolina State University. He obtained his Bachelor of Science degree in chemical engineering from Nanjing University of Technology, China, and his PhD degree in chemical engineering from the University of Washington. His PhD work at University of Washington focused on understanding the properties of zwitterionic materials using molecular simulations, and developing molecular level principles for designing new zwitterionic materials. His current research interests include nano-bio interfaces, self-assembly and interfacial properties of peptides, polymers and organic/inorganic hybrids. He has published more than 30 papers, including Nano Letter and Advanced Materials, and these papers have been cited more than 900+.