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A successful approach to understand field theories is to resolve the physics into different length or energy scales using the renormalization group framework. We propose a quantum simulation of quantum field theory which encodes field…
Quantum chromodynamics (QCD) describes the structure of hadrons such as the proton at a fundamental level. The precision of calculations in QCD limits the precision of the values of many physical parameters extracted from collider data. For…
One of the central problems in quantum mechanics is to determine the ground state properties of a system of electrons interacting via the Coulomb potential. Since its introduction by Hohenberg, Kohn, and Sham, Density Functional Theory…
The multi-component density functional theory is faced with the challenge of capturing various types of inter- and intra-particle exchange-correlation effects beyond those introduced by the conventional electronic exchange-correlation…
We present a derivation of the stress field for an interacting quantum system within the framework of local density functional theory. The formulation is geometric in nature and exploits the relationship between the strain tensor field and…
This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory,…
The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…
Quantum control protocols are typically devised in the time domain, leaving their spectral behavior to emerge only a posteriori. Here, we invert this paradigm. Starting from a target frequency-domain filter, we employ the…
We propose a new non-perturbative method for studying UV complete unitary quantum field theories (QFTs) with a mass gap in general number of spacetime dimensions. The method relies on unitarity formulated as positive semi-definiteness of…
We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and DFT based theories. The test set includes…
The density distribution in solids is often represented as a sum of Gaussian peaks (or similar functions) centred on lattice sites or via a Fourier sum. Here, we argue that representing instead the $\mathit{logarithm}$ of the density…
Quantum field theories at finite matter densities generically possess a partition function that is exponentially suppressed with the volume compared to that of the phase quenched analogue. The smallness arises from an almost uniform…
Physical Unclonable Functions (PUFs) provide hardware-level security by exploiting intrinsic randomness to produce device-unique responses. However, machine learning and side-channel attacks increasingly undermine their classical…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
Controlling quantum critical phenomena in strongly correlated electron systems, which emerge in the neighborhood of a quantum phase transition, is a major challenge in modern condensed matter physics. Quantum critical phenomena are…
Based on two-dimensional particle-in-cell simulations a novel approach towards Electron Energy Probability Function (EEPF) and plasma chemistry control by Current Waveform Tailoring (CWT) in the coil of inductively coupled discharges is…
This study investigates the influence of quantum effects on Coulomb explosion dynamics using time-dependent density functional theory (TDDFT) simulations, comparing classical, semi-classical, and quantum approaches. The goal is to elucidate…
When the motion of electrons is restricted to a plane under a perpendicular magnetic field B, a variety of quantum phases emerge at low temperatures whose properties are dictated by the Coulomb interaction and its interplay with disorder.…