Welcome
Welcome to the home of the ArbeitsGruppe Molecular Materials in the Department of Physics at the FAU Erlangen Nuernberg!
We study correlated electrons in solids and molecules, bridging quantum many-body theory, computational modeling, and – as of late – machine learning techniques. Our research spans from effective models for solids and their treatment with dynamical mean-field approximations (and beyond) to computational material simulation with methods from quantum chemistry.
News:
We are very happy to announce another arXiv preprint together with our Icelandic colleagues: This work introduces a simple yet powerful extension to Neural-Network Configuration Interaction (NNCI) by incorporating natural orbitals (NOs)—the eigenfunctions of the one-particle density matrix—as an opt...
We are excited to announce the latest results from the collaboration with our Icelandic friends from theoretical chemistry as new preprint on arXiv. Our joint work tackles the long-standing challenge of accurately describing Rydberg excited states—molecular states characterized by extremely diffuse ...
As collaborators of the group of Prof. Dr. Thomas Schaefer (Univerity of Trieste) we're glad to announce our latest joint preprint introducing C-CDMFT, a real-space cluster method that treats electronic interactions and disorder on equal footing. The approach combines the molecular coherent potentia...
We are pleased to announce the publication of our new paper in SciPost Physics. In our article, we investigate dynamical mean-field calculations of the three-band Emery model, focusing on the one- and two-particle levels for material-realistic parameters of high-(Tc) superconductors. Our results sho...
We are pleased to announce our new joint publication with Theoretical Chemsits at the University of Iceland in the Journal of Chemical Theory and Computation (JCTC). In this work, we combine Hartree–Fock with a neural-network-supported quantum-cluster solver to introduce the Neural-Network Configura...
