Department of Materials Science and Engineering Fall Seminar Series: Design and Optimization of Energy Materials Through Computational Analysis

I will show how voltage and chemical stability can be gauged computationally and how this can aid in the design of new materials according to specification: safety, power or cost. I will address some nanoscale concerns in terms of safety vs. performance. Finally, I will talk about how some relatively recent advances in computation, spurred by machine learning, have allowed for calculations at experimentally relevant length and time scales.