Parameterization of interatomic forcefields is a non-trivial global optimization problem involving quantification of multiple empirical variables against one or more properties. EZFF is a lightweight Python library for parameterization of several types of interatomic forcefields implemented in several molecular dynamics engines against multiple objectives using genetic-algorithm-based global optimization methods.

Corrosion of metals in extreme environments is an intrinsically multiscale and multi-physics process that encompasses electrochemistry, rheology, and mechanical behavior. PFM is the first predictive multiscale framework of "sour" corrosion, that integrates DFT, kMC and phase-field models captures atomistic-to-macroscale processes that happen on passive corrosion films.