Speaker Bio

Abstract:

The field of two-dimensional (2D) materials offers numerous opportunities, such as flexible and topological electronics that operate at room temperature and ambient conditions. Advances in theoretical, computational and experimental capabilities have enabled the manipulation of 2D materials at the atomic level, opening up a rich parameter space for novel applications. The synergy between theoretical and experimental approaches is crucial to exploit these opportunities. In this talk, I will discuss the integration of different computational approaches, enabled by the supercomputing capabilities at Oak Ridge National Laboratory, to explore the rich properties of 2D materials. We demonstrate the potential of these combined approaches using prototypical 2D quantum systems to improve theoretical predictability and guide experimental exploration of 2D materials. Significant challenges remain in accurately modeling 2D materials, particularly with first-principles approaches, including van der Waals interactions, level alignment problems, and topological inversion. By refining our theoretical and computational schemes, we aim to bridge the gap between theory and experiment, paving the way for robust quantum materials in practical applications.

Speaker’s Bio:

Dr. Mina Yoon is a senior R&D staff and the group leader of the Microstructural Evolution Modeling Group in the Materials Science and Technology Division (MSTD) at ORNL and is the joint Professor of the Department of Physics and Astronomy at the University of Tennessee (UTK), Knoxville. Her research focuses on the application of materials theory, advanced computational approaches, and data analysis/machine learning to understand fundamental physical phenomena and translate knowledge into the development of novel energy materials, including nanoscale materials and topological quantum materials. Prior to joining ORNL, Dr. Yoon spent three years as a Max Planck Fellow at the Fritz Haber Institute of the Max Planck Society in Germany. She is currently the secretary of the Electrical Division of the American Ceramics Society.