The seminar is sponsored by NYU-ECNU Center for Computational Chemistry at NYU Shanghai
Here I am going to report recent research progress in my group, which includes combination of multiscale simulations to study different materials. By combining atomistic simulation, mesoscale simulation and graph theory, we are able to predict the morphology and the efficiency of polymer solar cell. By using DFT and MD, we studied various nano-materials for different applications. We illustrate the structure function relationship and related mechanisms, which are useful for design of related materials.
Youyong Li, Professor of Institute of Functional Nano & Soft Materials, Soochow University, developed methodologies for free energy calculations and Monte Carlo methods to study complicated molecules and materials. Prof. Li successfully combined atomistic scale simulation method with mesoscale simulation method to study functional materials, polymer solar cells, and nano-materials. He published over 150 papers, including J. Am. Chem. Soc., Nat. Commun., etc. Research funding includes three NSFC projects, two 973 program projects, and other four projects. His awards include Bao Steel Award, IET award etc. Prof. Li also serve as a member of computational chemistry committee of Chinese Chemical Society and editorial board member of “Frontiers in Materials" and CCADD. Homepage: http://modeling.org.cn