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

Astract: The presentation will discuss the steps to be taken to develop a multi-physics reactive empirical potential that can be utilized in atomic-scale simulations. In particular, the development of third-generation charge-optimized many-body (COMB3) potentials will be discussed. The performance of the resulting potential as compared to first-principles methods will be discussed, as will its application to problems in condensed matter physics.