From Electrons to Phase Transitions
The description of phase transitions is among the most challenging tasks in solid state physics. From an electronic point of view, an accurate description of phase transitions requires highly accurate energy differences between competing phases, a goal that is not yet achievable using routine ab initio methods. The conference will give an overview of methods beyond DFT that show promise in this area. The description of the ionic degrees of freedom is equally compelling, often necessitating sophisticated sampling methods to accurately capture the entropic contributions and their changes along the transition pathway. The conference will highlight promising new developments in this area, as well as, technologically relevant applications.