AGMM Group

The Molecular Materials Group (AGMM) at FAU’s Department of Physics develops and applies modern quantum many-body methods to understand the electronic structure of correlated materials and molecules. Our research spans from density functional theory and dynamical mean-field theory (DMFT) for solid-state systems — including transition-metal adatoms on semiconductor surfaces and interaction-driven phases — to neural-network-augmented configuration interaction (NNCI) methods that tackle the exponential complexity of molecular electronic structure. By bridging computational condensed matter physics with machine learning, we aim to provide predictive theoretical descriptions of systems where strong electronic correlations play a decisive role.