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We propose two efficient numerical methods of evaluating the luminosity distance in the spatially flat {\Lambda}CDM universe. The first method is based on the Carlson symmetric form of elliptic integrals, which is highly accurate and can…
We analyze the problem of determining the electronic ground state within O(N) schemes, focusing on methods in which the total energy is minimized with respect to the density matrix. We note that in such methods a crucially important…
We present a simple and efficient method to set up spherical structure models for N-body simulations with a multimass technique. This technique reduces by a substantial factor the computer run time needed in order to resolve a given scale…
By performing high-throughput first-principles calculations combined with a semiempirical van der Waals dispersion correction, we have screened 74 direct- and 185 indirect-gap two dimensional (2D) nonmagnetic semiconductors from near 1000…
Massive multiple-input--multiple-output (MIMO) systems can suffer from coherent intercell interference due to the phenomenon of pilot contamination. This paper investigates a two-layer decoding method that mitigates both coherent and…
We combine density-functional theory with density-matrix functional theory to get the best of both worlds. This is achieved by range separation of the electronic interaction which permits to rigorously combine a short-range density…
Density matrix embedding theory (DMET) is a fully quantum-mechanical embedding method which shows great promise as a method of defeating the inherent exponential cost scaling of multiconfigurational wave function-based calculations by…
One of the goals in the development of large scale electronic structure methods is to perform calculations explicitly for a localised region of a system, while still taking into account the rest of the system outside of this region. An…
In this paper we consider the lossy compression of a binary symmetric source. We present a scheme that provides a low complexity lossy compressor with near optimal empirical performance. The proposed scheme is based on b-reduced…
The optimal branch number of MDS matrices makes them a preferred choice for designing diffusion layers in many block ciphers and hash functions. Consequently, various methods have been proposed for designing MDS matrices, including search…
Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain…
Low-resolution precoding techniques have gained considerable attention in the wireless communications area recently. Vital but hardly discussed in literature, discrete precoding in conjunction with channel coding is the subject of this…
We present \textsf{ModularSubsetSelection} (MSS), a new algorithm for locally differentially private (LDP) frequency estimation. Given a universe of size $k$ and $n$ users, our $\varepsilon$-LDP mechanism encodes each input via a Residue…
The Density Matrix Renormalization Group (DMRG) method is developed for application to realistic nuclear systems. Test results are reported for 24Mg.
Radiation Detection Systems (RDSs) are used to measure and detect abnormal levels of radioactive material in the environment. These systems are used in many applications to mitigate threats posed by high levels of radioactive material.…
We report a universal density-based basis-set incompleteness correction that can be applied to any wave function method. The present correction, which appropriately vanishes in the complete basis set (CBS) limit, relies on short-range…
The prediction of the effective elastic properties of polymer bonded explosives using direct numerical simulations is computationally expensive because of the high volume fraction of particles in these particulate composites ($\sim$0.90)…
Metasurfaces, consisting of large arrays of interacting subwavelength scatterers, pose significant challenges for general-purpose computational methods due to their large electric dimensions and multiscale nature. This paper introduces an…
A new method for predicting core level binding energies (CLBEs) is developed by both localizing the core-level states and describing the screening effect. CLBEs contain important information about the electronic structure, elemental…
We present a data-efficient, multiscale framework for predicting the density profiles of confined fluids at the nanoscale. While accurate density estimates require prohibitively long timescales that are inaccessible by ab initio molecular…