Multi-Scale Modeling for Accelerating Materials Design and Realization
Date: 2021/11/05 - 2021/11/05
Academic Seminar: Multi-Scale Modeling for Accelerating Materials Design and Realization
Speaker: Yanming Wang, Assistant Professor, UM-SJTU Joint Institute, Shanghai Jiao Tong University
Time: 10:00 - 11:30, November 5, 2021 (Beijing Time)
Location: CIMC Auditorium（Room 300）, JI Long Bin Building
Feishu: https://vc.feishu.cn/j/235090819
Abstract
With the improving hardware capabilities and software algorithms, modeling and simulations have started to play a more important role in modern research and development activities. In the field of materials science and engineering, one major focus is to link microscopic structural features with macroscopic processing parameters for producing desired material properties, where immense opportunities are provided for computational models across multiple time and length scales. In this presentation, three examples from different aspects will be given, to demonstrate how multi-scale simulations are leveraged to accelerate the design process of new materials and promote their realization. In the first example, atomistic simulations were performed for understanding the mechanisms of catalyzed crystal growth, leading to an accurate prediction on the growth velocity as a function of temperature and supersaturation. In the second example, phase field models were developed for capturing the structural transitions of nano-structured materials, which clarified the interplay among multiple key factors during the morphological evolutions, providing useful guidelines for tailoring nanomaterial synthesis pathways. In the last example, coarse-grained molecular dynamics was adopted, in conjunction with Bayesian optimization, to investigate the collective effects of molecular level material properties on lithium-ion transport in polymeric material systems, toward an efficient screening of highly conductive polymer electrolytes for all-solid state battery applications.
Biography
Yanming Wang is currently an assistant professor at the University of Michigan-Shanghai Jiao Tong University Joint Institute. He received B.E. in Materials Science and Engineering from Shanghai Jiao Tong University. After that, he attended Stanford University for his M.S. and Ph.D. in Materials Science and Engineering. Before joining JI, he was a postdoctoral researcher at Massachusetts Institute of Technology. His research mainly focuses on the area of multi-scale modeling and machine learning for design and synthesis of novel functional materials. He has published more than 30 scientific papers on high impact journals, including Nature Communications, ACS Nano, Nano Letters, Advanced Materials, Chemistry of Materials, etc.