Related papers: Numerically efficient density-matrix technique for…
This work presents an efficient numerical method to evaluate the free energy density and associated thermodynamic quantities of (quasi) one-dimensional classical systems, by combining the transfer operator approach with a numerical…
We propose a high efficiency tomographic scheme to reconstruct an unknown quantum state of the qubits by using a series of quantum nondemolition (QND) measurements. The proposed QND measurements of the qubits are implemented by probing the…
Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes…
An efficient implementation of the nonequilibrium Green function (NEGF) method combined with the density functional theory (DFT) using localized pseudo-atomic orbitals (PAOs) is presented for electronic transport calculations of a system…
Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this…
We introduce an analytical iterative method, the density matrix recursion method, to generate arbitrary reduced density matrices of superpositions of short-range dimer coverings on periodic or non-periodic quantum spin-1/2 ladder lattices,…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
Light emitted from single-mode semiconductor lasers generally has large divergence angles, and high numerical aperture lenses are required for beam collimation. Visible and near infrared lasers are collimated using aspheric glass or plastic…
We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant…
We present a simple method to deal with caustics in the semiclassical approximation to the thermal density matrix of a particle moving on the line. For simplicity, only its diagonal elements are considered. The only ingredient we require is…
We investigate several transport coefficients across the phase diagram of a holographic Einstein-Maxwell-Dilaton (EMD) model of hot and dense QCD with $N_f=2+1$ flavors. Our results are obtained from an open-source implementation of this…
Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties…
We propose a matrix model which embodies the semiclassical approach to the problem of quantum transport in chaotic systems. Specifically, a matrix integral is presented whose perturbative expansion satisfies precisely the semiclassical…
The rapid development of optical technologies and applications revealed the critical role of point defects affecting device performance. One of the powerful tools to study influence of defects on charge capture and recombination processes…
Chloride molten salts are increasingly used in pyroprocessing techniques for the separation of lanthanides. Understanding thermodynamic properties of these salts is essential to predict their critical characteristics and optimize the…
In this paper, we present a numerical algorithm for the accurate and efficient computation of the convolution of the frequency domain layered media Green's function with a given density function. Instead of compressing the convolution…
The research of metamaterials has achieved enormous success in the manipulation of light in an artificially prescribed manner using delicately designed sub-wavelength structures, so-called meta-atoms. Even though modern numerical methods…
Currently, components of consistent mass matrix are computed using various numerical integration schemes, each one alters in number of integration (Gauss) points, requires different amount of computations and possess different level of…
A general density-matrix formulation of quantum-transport phenomena in semiconductor nanostructures is presented. More specifically, contrary to the conventional single-particle correlation expansion, we shall investigate separately the…
Semiconductor crosshatch patterns in thin film heterostructures form as a result of strain relaxation processes and dislocation pile-ups during growth of lattice mismatched materials. Due to their connection with the internal misfit…