Physics Colloquium - Unlocking the Physics of Quantum Materials
Unlocking the Physics of Quantum Materials via First-Principles Theory and Data-Driven Science
Dr. Eric Isaacs
Post-doctoral Fellow
Northwestern University
Abstract:
Quantum materials, which exhibit strong electron-electron interactions and novel topological states, host some of the most exotic phenomena in condensed matter physics such as high-temperature superconductivity and colossal magnetoresistance. They also hold significant technological promise, with applications such as rechargeable batteries, thermoelectricity, and optoelectronics. Despite the increasing interest in such materials, up to now, the ability of theory and computation to accelerate the discovery and understanding of quantum materials has been severely limited by (1) the failure of standard one-electron band theory approaches to accurately describe their electronic and thermodynamic properties and (2) our inability to efficiently search and characterize the vast space of all possible materials.
In this talk, I will describe advances in first-principles theory that are enabling the accurate description of quantum materials, as well as new data-driven techniques aimed to rationally design and characterize materials with targeted properties. In the first part, using massively-parallelized supercomputer simulations, I will demonstrate the power of approaches such as the many-body dynamical mean-field theory to describe the thermodynamics and electronic properties of materials like lithium cobalt oxide, the quintessential rechargeable battery cathode material. In the second part, I will illustrate how materials with specialized electronic band structures can be designed by exploiting the emerging area of materials informatics, yielding materials with remarkable electronic and thermal transport physics. Finally, I will discuss future opportunities for data-driven design and understanding of quantum materials.
Speaker Bio:
Eric Isaacs received his PhD in Applied Physics from Columbia University in 2016, supported by the DOE Computational Science Graduate Fellowship. His topic of study was the electronic structure and phase stability of materials with strong electron correlations, such as rechargeable battery cathodes. He is a postdoctoral fellow at Northwestern University, applying data-driven tools such as high-throughput computing, data mining, and machine learning to the design and understanding of materials. In 2017, he was named the DOE Frederick A. Howes Scholar in Computational Science for his research and service contributions.
Intended Audience:
No background knowledge required. All are welcome.
Event Snapshot
When and Where
Who
Open to the Public
Interpreter Requested?
No