We review recent developments in electronic structure calculations that go beyond state-of-
the-art methods such as density functional theory (DFT) and dynamical mean field theory …

Materials design based on density functional theory (DFT) calculations is an emergent field
of great potential to accelerate the development and employment of novel materials …

Using a leading algorithmic implementation of the functional renormalization group (fRG) for
interacting fermions on two-dimensional lattices, we provide a detailed analysis of its …

We review many-body effects, their microscopic origin, as well as their impact on
thermoelectricity in correlated narrow-gap semiconductors. Members of this class—such as …

Diagrammatic extensions of dynamical mean-field theory (DMFT) such as the dynamical
vertex approximation (D Γ A) allow us to include nonlocal correlations beyond DMFT on all …

Complex functional materials are characterized by intricate and competing bond orders,
making them an excellent platform for evaluating the newly developed strongly constrained …

We analyze possible ways to calculate magnetic exchange interactions within the density
functional theory plus dynamical mean-field theory (DFT+ DMFT) approach in the …

While key effects of the many-body problem—such as Kondo and Mott physics—can be
understood in terms of on-site correlations, non-local fluctuations of charge, spin, and …

We investigate the divergences appearing in the two-particle-irreducible vertex functions of
many-fermion systems with attractive on-site interactions. By means of dynamical mean-field …

Transition-metal phthalocyanine molecules have attracted considerable interest in the
context of spintronics device development due to their amenability to diverse bonding …