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