Studying electronic structure of exotic materials using advanced materials theory

In this talk, we discuss advanced theoretical frameworks, largely rooted in many-body physics, that enable first-principles calculations of real materials and provide insight into their electronic structure and emergent properties. 

Focusing on transition-metal oxides, materials of central importance for applications ranging from battery cathodes to superconductivity and oxide-based electronics, we highlight a regime where strong electron–electron interactions play a decisive role. In this strongly correlated setting, standard one-electron approximation–based theories break down. 

We demonstrate how many-body methods overcome these limitations and allow macroscopic physical properties to be understood directly from the underlying atomistic electronic structure.

Venue: Fulton G20