Models that combine computational approaches from chemistry and materials science with machine learning have seen a surge of interest over the last years. In this talk, I will introduce the concepts underlying hybrid quantum mechanics / machine learning models (QM/ML models), discuss important aspects like the representation of molecules and materials, give an overview of a broad range of studies and applications, and present selected studies in more detail.
Back to Hands-on Summer School: Electronic Structure Theory for Materials and (Bio)molecules