Quantum computing-aided defect studies

Kurzfassung

Defects, even in low concentrations, can significantly influence the properties of materials. State-of-the-art classical methods struggle to correctly describe strongly correlated defects in a quantitative way. Quantum computing has emerged as a promising tool to efficiently solve strongly-correlated many-body systems. Due to the localized nature of some strongly correlated defects they present a playground for method development both for embedding methods or similar approaches as well as quantum computing algorithms. We present the setup of the problem and possible routes that will be explored within the quantum initiative of the German Aerospace Center (DLR).