In this talk, I will introduce correlated electron quantum materials, why they are gaining interest, and their current and future applications, from quantum computing and microelectronics, to smart window coatings. These materials are characterized by local, quantized degrees of freedom (spin, charge order, orbital polarization) which give rise to emergent phenomena such as superconductivity, magnetism, metal-insulator transitions.

Traditionally, the study of this class of materials has been focused transition metal oxides, and the d-orbital states on the transition metal ion, following the discovery of superconductivity in cuprates, with a more recent focus on moire systems.

I will describe - based on computational and theoretical tools - how the interaction between local crystal structure motifs and electronic properties influences the formation of novel quantum states with various geometries. This relationship determines not just which quantum states are possible, but also in some cases which materials are stable. Examples will include a range of materials, from oxide compounds to Kagome halides. Additionally, I will demonstrate how techniques originally developed for studying quantum materials can be applied more broadly, such as in the case of photoluminescent Bismuth oxyhalide materials.

Finally, I will show how machine learning can be used to assist at all steps of discovery of quantum materials, from their identification to proposed synthesis pathways.