Max C. Gallant

An Investigation into the Kinetic Persistence of TiO2 Polymorphs Using Machine-Learning-Driven Pathfinding in Crystal Configuration Space

As the number of theoretically predicted materials continues to expand, it is increasingly important to evaluate not only their thermodynamic stability but also their kinetic resilience against transformation to competing polymorphs. In this study, we investigate the hypothesis that the kinetic persistence of a metasta...