In the ATMOS group, we work on the theory, simulation, and modeling of materials. We focus on the study of materials both ab initio and with effective models. We also work on quantum optics and nanophotonics. Specifically, we address computational tasks from first principles, thermal transport, high-throughput materials screening, and ionic matter modeling. Additionally, we work on topological matter, surface electronic structure, many-body problems, quantum optics, magnetism, and nanophotonics.