Nano@Tech Spring 2024 Series | Multiscale Modeling and Simulation Approach Transforming Design, Discovery, and Development of Advanced Materials

Featuring Seung Soon Jang, professor in the School of Materials Science and Engineering at Georgia Tech

Abstract: Recent advancements in computational methods within the fields of fundamental science, such as chemistry and physics, have established them as invaluable tools across various domains within materials science. In this presentation, I will share my research through the multiscale modeling and simulation approach, integrating quantum mechanics, molecular dynamics, and mesoscale simulations to investigate the intrinsic structures, properties, and mechanisms underpinning pivotal processes, which aims at achieving sustainable science and technology for various societal challenges such as energy, biomedical, and environmental issues. The initial segment explores modeling investigations into fundamental properties of soft materials, such as thermodynamic and mechanical properties of bulk phase and interface. A focal point is understanding how nanoscale self-assembled structures influence material characteristics, particularly in facilitating essential processes like molecular transport. Harmonizing computational predictions with experimental data synergistically nurtures the evolution of structure-property relationships, facilitating the design of new materials with enhanced properties. The subsequent part of the presentation highlights recent progress in energy technologies, such as fuel cells, batteries, and solar cells. In this context, nanometer-scale structures are meticulously modeled and characterized to elucidate and predict atomistic-molecular mechanisms governing critical properties, such as ion transport and redox process. The multiscale modeling and simulation approach is potent for gaining deeper insights into these intricate processes. The final segment briefly discusses the potential of machine learning for high-throughput screening in materials research. Ultimately, this presentation underscores that the multiscale modeling and simulation approach serves as an instrumental means to attain a profound understanding of nanoscale systems and to establish a framework for guiding the development of innovative materials through an informed structure-property relationship perspective.

Bio: : Dr. Seung Soon Jang is a professor in the School of Materials Science and Engineering (MSE) at Georgia Tech. He earned his B.S., M.S., and Ph.D. degrees from the School of Materials Science & Engineering at Seoul National University. After working at Samsung Electronics for two years as a senior engineer, he spent six years in Prof. Goddard’s group as a postdoctoral associate and research staff at the California Institute of Technology. Dr. Jang joined Georgia Tech as an Assistant Professor in 2007 and was awarded tenure and promoted to Associate Professor in 2013 and Professor in 2020. His research interest is to investigate various nanoscale systems using the multiscale modeling and simulation approach to achieve atomic/molecular structure-nanoscale structure-property relationship, which makes fundamental improvement in new material development for various applications. Dr. Jang has published 183 peer-reviewed papers (7305 citations, H index: 44). He also has presented 118 invited lectures and 165 contributing presentations at numerous national and international conferences.

View a live stream of the seminar

A boxed lunch will be served on a first come, first served basis.