This is a past event.

Veronica Barone from Central Michigan University will present at this week's Physics Colloquium. Please join this in-person presentation at 4 p.m., Thursday, Sep 14th in Fisher Hall 139.

Computational Exploration of Electrode Materials for Rechargeable Battery Applications

ABSTRACT:

The search of new and more efficient electrode materials for rechargeable battery applications can be significantly enhanced by modeling and simulations that allow us to inspect novel stoichiometries and symmetries for favorable configurations. In this presentation, I will review an introduction to the fundamental concepts of battery cells and how do they translate to quantities that we can obtain from quantum mechanical calculations. I will also discuss our recent work on machine learning (ML) techniques applied to the screening of materials for battery applications and our subsequent work to increase the size of the available datasets to train new ML models.

BIO:

Dr. Barone is a Professor in the Department of Physics at Central Michigan University, and she currently serves as the chairperson in her department. She earned a Ph.D. in Physics from the University of Buenos Aires, Argentina in 2003 and worked at Rice University as a postdoctoral research associate until 2007 when she moved to Central Michigan University. Prof. Barone works in computational materials science with emphasis in electronic properties of low-dimensional materials as well as materials for energy conversion and storage. Additionally, she serves as Associate Editor of the European Physical Journal B - Condensed Matter and Complex Systems.