Molecular simulations for design of improved electrochemical devices

Join us on March 9 at 3:30 p.m. for this Sustainable Energy Seminar presentation by Jeff Greeley, Professor of Chemical and Biological Engineering at UW-Madison.

Abstract

Electrochemical devices are employed in many energy-critical applications, ranging from energy storage devices, such as batteries, to fuel cells for electricity production.  Although these devices operate at the macroscale, many of their properties are determined at the molecular level, and understanding of the connection between molecular characteristics and macroscopic properties is not well developed.  In recent years, however, accurate molecular simulations have begun to shed light on some of the most important molecular-level phenomena in these devices, and in some cases, the simulations have even pointed to the design of materials for enhanced electrochemical devices.

In this talk, I will provide a brief overview of this field, and I will then give some examples of how researchers have begun to use molecular simulation techniques to improve our understanding of electrochemical devices for energy applications.  I will show how molecular simulations can help to determine the relationship between molecular-level properties and device-level performance, and I will further demonstrate how this knowledge can, in some cases, be leveraged for improved materials design.  I will close with a discussion of some future directions for the field.

Registration

This event is offered online only through Zoom Webinar. Registration is required through Zoom. Click here to register for this and all other webinars as part of the Sustainable Energy Seminar series in Spring 2026.

Online via Zoom Webinar