Quantum impurity models describe an atom or molecule embedded in a host material with
which it can exchange electrons. They are basic to nanoscience as representations of …

The study of nonequilibrium phenomena in correlated lattice systems has developed into
one of the most active and exciting branches of condensed matter physics. This research …

We present an overview of the onetep program for linear-scaling density functional theory
(DFT) calculations with large basis set (plane-wave) accuracy on parallel computers. The …

Studies of the electromagnetic response of various classes of correlated electron materials
including transition-metal oxides, organic and molecular conductors, intermetallic …

One of the fundamental properties of semiconductors is their ability to support highly tunable
electric currents in the presence of electric fields or carrier concentration gradients. These …

We implemented the charge self-consistent combination of density-functional theory and
dynamical mean-field theory (DMFT) in two full-potential methods, the augmented plane …

The term'high-temperature superconductor'used to refer only to copper-based compounds—
now, iron-based pnictides have entered the frame. The comparison of these two types of …

We report first-principles and strongly correlated calculations of the newly discovered heavy
fermion superconductor UTe 2. Our analyses reveal three key aspects of its magnetic …

Heavy-fermion systems share some of the strange metal phenomenology seen in other
unconventional superconductors, providing a unique opportunity to set strange metals in a …

In solids containing elements with f orbitals, the interaction between f-electron spins and
those of itinerant electrons leads to the development of low-energy fermionic excitations with …