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We present results of a photon-free exchange-correlation functional within the local density approximation (pxcLDA) for quantum electrodynamics density functional theory (QEDFT) that efficiently describes the electron …

Recent observations of superconductivity in twisted bilayer WSe2 have extended the family of moiré superconductors beyond twisted graphene. In WSe2 two different twist angles were studied, 3.65° …

Two-dimensional moiré materials are formed by artificially stacking atomically thin monolayers. Correlated and topological quantum phases can be engineered by precise choice of stacking geometry1-3. These …

Polaritons are quantum mechanical superpositions of photon states with elementary excitations in molecules and solids. The light-matter admixture causes a characteristic frequency-momentum dispersion shared by all …

Embedding materials in optical cavities has emerged as a strategy for tuning material properties. Here, we develop a nonperturbative quantum electrodynamical approach based on a photon-free self …

Metals with partially filled core atomic shells can form quasiparticles at a low temperature arising from the hybridization of the core level and conduction electrons. The thermodynamic and …

Quantum-enhanced sensors, which surpass the standard quantum limit (SQL) and approach the fundamental precision limits dictated by quantum mechanics, are finding applications across a wide range of …

Graphene-based photonic structures have emerged as fertile ground for the controlled manipulation of surface plasmon polaritons (SPPs), providing a two-dimensional platform with low optoelectronic losses. In …

The electronic properties of correlated insulators are governed by the strength of Coulomb interactions, enabling the control of electronic conductivity with external stimuli. This work highlights that the …

Chiral systems exhibit unique properties traditionally linked to their asymmetric spatial arrangement. Recently, multiple laser pulses were shown to induce purely electronic chiral states without altering the nuclear …

We present the theoretical derivation and numerical implementation of the linear-response equations for relativistic quantum-electrodynamical density functional theory (QEDFT). In contrast to previous works based on …

Optical selection rules endorsed by symmetry are crucial for understanding the optical properties of quantum materials and the associated ultrafast spectral phenomena. Here, we introduce momentum-resolved Floquet …

Selective excitation of vibrational modes using strong laser pulses has emerged as a powerful material engineering paradigm. However, to have deterministic control over material properties for device applications …

Structuring the photon density of states and light-matter coupling in optical cavities has emerged as a promising approach to modifying the equilibrium properties of materials through strong …

We introduce a new theoretical framework -- the polarized Houston basis -- to model nonequilibrium dynamics in driven open quantum systems, formulated for use within the quantum master equation. This …

Coherent manipulation of magnetism through the lattice provides opportunities for controlling spintronic functionalities on the ultrafast timescale. Such nonthermal control typically involves nonlinear excitation of Raman-active phonons …

First-principles electron dynamics calculations can be applied in the investigation of a wide range of ultrafast phenomena in attosecond physics. They offer unique microscopic insight into light …

Time-dependent Wannier functions were initially proposed as a means for calculating the polarization current in crystals driven by external fields. In this work, we present a simple …

Embedding materials in optical cavities has emerged as an intriguing perspective for controlling quantum materials, but a key challenge lies in measuring properties of the embedded matter. Here …

Is it feasible to alter the ground state properties of a material by engineering its electromagnetic environment? Inspired by theoretical predictions, experimental realizations of such cavity-controlled properties …

Confining electromagnetic fields inside an optical cavity can enhance the light–matter coupling between quantum materials embedded inside the cavity and the confined photon fields. When the interaction …

A beyond electric-dipole light-matter theory is needed to describe emerging x-ray and THz applications for characterization and control of quantum materials but inaccessible as nondipole …

Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has …

Floquet engineering is a novel method of manipulating quantum phases of matter via periodic driving [1, 2]. It has successfully been utilized in different platforms ranging from photonic …

Electrons can form an ordered solid crystal phase ascribed to the interplay between Coulomb repulsion and kinetic energy. Tuning these energy scales can drive a phase transition from …

The force-balance equation of time-dependent density-functional theory presents a promising route toward obtaining approximate functionals; however, so far, no practical correlation functionals have been derived …

We present a generalization of the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method to cavity quantum-electrodynamical (QED) matter systems. The method can be formulated in both …

We propose a mechanism for generating single photons in the mid-infrared (MIR) using a solid-state or molecular quantum emitter. The scheme uses cavity quantum electrodynamics (QED …

Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure …

Graphene is a privileged 2D platform for hosting confined light-matter excitations known as surface plasmon polaritons (SPPs), as it possesses low intrinsic losses and a high degree …

Extreme light confinement in plasmonic nanosystems enables novel applications in photonics, sensor technology, energy harvesting, biology, and quantum information processing. Fullerenes represent an extreme case for nanoplasmonics: They …

Twisted WSe2 hosts superconductivity, metal-insulator phase transitions, and field-controllable Fermi-liquid to non-Fermi-liquid transport properties. In this work, we use dynamical mean-field theory …

We report an , nonrelativistic QED method that couples light and matter self-consistently beyond the electric dipole approximation and without multipolar truncations. This method is based on an …

In this work we investigate the effects that multimode photonic environments, e.g., optical cavities, have on the properties of quantum matter. We highlight the importance of the …

Embedding materials in optical cavities has emerged as a strategy for tuning material properties. Here, we develop a nonperturbative quantum electrodynamical approach based on a photon-free self …

Van der Waals heterostructures host many-body quantum phenomena that are tunable in situ using electrostatic gates. Their constituent two-dimensional materials and gates can naturally form plasmonic …

Chirality, the breaking of improper rotational symmetry, is a fundamental concept spanning diverse scientific domains. In condensed matter physics, chiral phonons, originating from circular atomic motions that carry …