Videos

Developing and Fitting Reactive Empirical Potentials to Enable Atomic-Scale Simulations

Presenter
September 15, 2016
Abstract
Susan Sinnott Pennsylvania State University Material modeling methods span length scales from the electronic scale to the continuum scale. This presentation will focus on the atomistic nano scale and review the methods used at this scale. The way in which new methods are developed will also be discussed. A focus of the presentation will be the strengths and weaknesses of atomic-scale materials modeling within the context of error, validation, and comparison to experiment.
Supplementary Materials