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A large collaboration carefully benchmarks 20 first-principles many-body electronic structure methods on a test set of seven transition metal atoms and their ions and monoxides. Good …

We discuss the construction of low-energy tight-binding Hamiltonians for condensed matter systems with a strong coupling to the quantum electromagnetic field. Such Hamiltonians can be obtained …

We show that in a model of a metal photoexcited by a transient pump pulse resonant with a phonon mode, the absolute dc conductivity may become negative, depending …

We theoretically study the low energy electromagnetic response of BCS type superconductors focusing on propagating collective modes that are accessible with THz near field optics. The interesting frequency …

The ground-state properties of correlated electron systems can be extraordinarily sensitive to external stimuli, offering abundant platforms for functional materials. Using the multi-messenger combination of atomic …

Layered perovskite ruthenium oxides exhibit a striking series of metal-insulator and magnetic-nonmagnetic phase transitions easily tuned by temperature, pressure, epitaxy, and nonlinear drive. In this work …

Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties …

We show that optical excitation of the Mott insulating phase of the one-dimensional Hubbard model can create a state possessing two of the hallmarks of superconductivity: a …

Controlling phase transitions in transition metal oxides remains a central feature of both technological and fundamental scientific relevance. A well-known example is the metal-insulator transition which …

Quantum materials are amenable to nonequilibrium manipulation with light, enabling modification and control of macroscopic properties. Light-based augmentation of superconductivity is particularly intriguing. Copper-oxide superconductors exhibit …

A saddle point plus fluctuation analysis of the periodically driven half-filled two-dimensional Hubbard model is performed. For drive frequencies below the equilibrium gap, we find discontinuous …

Resistance in superconductors arises from the motion of vortices driven by flowing supercurrents or external electromagnetic fields and may be strongly affected by thermal or quantum fluctuations. The …

We compute dynamic spin susceptibilities in the two-dimensional Hubbard model using the method of Dual Fermions and provide comparison to lattice Monte Carlo and cluster dynamical mean …

Moiré engineering has recently emerged as a capable approach to control quantum phenomena in condensed matter systems. In van der Waals heterostructures, moiré patterns can be formed by …

In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice …

We study the growth of entanglement entropy and bond dimension with time in density matrix renormalization group simulations of the periodically driven single-impurity Anderson model. The growth …

The quench dynamics of a system involving two competing orders is investigated using a Ginzburg-Landau theory with relaxational dynamics. Modest differences in relaxation rates of the competing …

The Mott insulator Ca2RuO4 is the subject of much recent attention following reports of emergent nonequilibrium steady states driven by applied electric fields or currents. In this paper …

Dissipationless charge transport is one of the defining properties of superconductors, but the interplay between dimensionality and disorder in determining the onset of dissipation remains an open theoretical …

Using polarized optical and magneto-optical spectroscopy, we have demonstrated universal aspects of electrodynamics associated with Dirac nodal-lines. We investigated anisotropic electrodynamics of NbAs2 where the spin …

Motivated by recent experiments, we use the +U extension of the generalized gradient approximation to density functional theory to study superlattices composed of alternating layers of LaNiO3 and …

Mechanical strain is a powerful technique for tuning electronic structure and interactions in quantum materials. In a system with tetragonal symmetry, a tunable uniaxial in-plane strain can …

To understand superconductivity in Chevrel phase compounds and guide the search for interesting properties in materials created with Chevrel phase molecules as building blocks, we use ab-initio …

We introduce the Loschmidt-amplitude as a powerful tool to perform spectroscopy of generic many-body wave functions. We use our machinery to interrogate the wave function obtained …

We present a theoretical investigation of the voltage-driven metal insulator transition based on solving coupled Boltzmann and Hartree-Fock equations to determine the insulating gap and the …

The nature of the metal insulator transition in thin films and superlattices of LaNiO3 with only few unit cells in thickness remains elusive despite tremendous effort. Quantum confinement …

Recent experiments on K3C60 and layered copper-oxide materials have reported substantial changes in the optical response following application of an intense THz pulse. These data have been …

Density functional theory augmented with Hubbard-U corrections (DFT+U) is currently the most widely used method for first-principles electronic structure modeling of insulating transition metal oxides …

We consider a one-dimensional interacting spinless fermion model, which displays the well-known Luttinger liquid (LL) to charge density wave (CDW) transition as a function of the …

Many materials exhibit metal-insulator transitions that are driven by electron correlation effects but also involve structural changes. This paper uses density functional, dynamical mean field and Landau …

We have used a combination of ultrafast coherent phonon spectroscopy, ultrafast thermometry, and time-dependent Landau theory to study the inversion symmetry breaking phase transition at Tc=200 …