Machine learning multiscale simulation of photoconductivity in correlated oxides

Predicting, explaining and modelling novel behaviours of quantum materials requires a combination of theoretical insight with state-of-the-art multiscale modelling. In the case of complex oxides, displaying both strong electronic correlation and a diverse range of extended and point defects, traditional electronic structure methods encounter severe challenges when trying to model key properties such as photoconductivity and bulk photovoltaic effects. Fortunately, the extraordinary speed and power of machine-learned interatomic potentials provides a brand-new way to gain insight into these systems. This project will design and build multiscale models to understand photoconductivity in SrTiO3, particularly enhancement associated with dislocation cores.