相关论文: Computer-generated character tables and nuclear sp…

DScribe is a software package for machine learning that provides popular feature transformations ("descriptors") for atomistic materials simulations. DScribe accelerates the application of machine learning for atomistic property prediction…

We review recent developments that show that pseudospin symmetry is an approximate relativistic symmetry of the Dirac Hamiltonian with realistic nuclear mean field potentials.

Basis sets of atomic orbitals are very efficient for density functional calculations but lack a systematic variational convergence. We present a variational method to optimize numerical atomic orbitals using a single parameter to control…

Motivation: NMR spectra are widely used in metabolomics to obtain metabolite profiles in complex biological mixtures. Common methods used to assign and estimate concentrations of metabolites involve either an expert manual peak fitting or…

Atomistic spin dynamics simulations provide valuable information about the energy spectrum of magnetic materials in different phases, allowing one to identify instabilities and the nature of their excitations. However, the time cost of…

Nuclear spins in solids offer a promising avenue for developing scalable quantum hardware. Leveraging nearby single-color centers, these spins can be efficiently addressed at the single-site level through spin resonance. However,…

We address the issue of computing the non-linear shrinkage formulas for the weighted sample covariance in high dimension. We use theoretical properties of the asymptotic sample spectrum in order to derive the \textit{WeSpeR} algorithm and…

We report an atomically-precise integration of individual nitrogen (N) dopant as an in-plane artificial nucleus in a graphene device by atomic implantation to probe its gate-tunable quantum states and correlation effects. The N dopant…

We present spin-resolved measurements of the local density of states in Si doped GaAs. Both spin components exhibit strong mesoscopic fluctuations. In the magnetic quantum limit, the main features of the spin-up and spin-down components of…

We study the use of cell resampling to reduce the fraction of negatively weighted Monte Carlo events in a generated sample typical of that used in experimental analyses. To this end, we apply the Cell Resampler to a set of $pp \rightarrow…

A topological index of a graph $G$ is a numerical quantity that describes its topology. Reverse degree-based topological indices play an important role in finding topological descriptors. Azacitidine, Decitabine, and Guadecitabine are…

A software for simplification of Dirac matrix polynomials that arise in particle physics problems is implemented.

We suggest a so-called Dirac type tensor equation with nonabelian gauge symmetry on pseudo-Riemannian space. This equation reproduce some of the properties of spinor Dirac equation. A geometrical interpretation of results in terms of…

Spin noise spectroscopy is an optical technique which can probe spin resonances non-perturbatively. First applied to atomic vapours, it revealed detailed information about nuclear magnetism and the hyperfine interaction. In solids, this…

Based on multiple parallel short molecular dynamics simulation trajectories, we designed the reweighted ensemble dynamics (RED) method to more efficiently sample complex (biopolymer) systems, and to explore their hierarchical metastable…

Model calculations of nuclear properties are peformed using quantum computing algorithms on simulated and real quantum computers. The models are a realistic calculation of deuteron binding based on effective field theory, and a simplified…

The reverse engineering of a complex mixture, regardless of its nature, has become significant today. Being able to quickly assess the potential toxicity of new commercial products in relation to the environment presents a genuine…

We demonstrate assembly of di-, tri- and tetrameric Si clusters on the graphene surface using sub-atomically focused electron beam of a scanning transmission electron microscope. Here, an electron beam is used to introduce Si substitutional…

Emission from the interstellar medium can be a significant contaminant of measurements of the intensity and polarization of the cosmic microwave background (CMB). For planning CMB observations, and for optimizing foreground-cleaning…

The article is addressing a possibility of implementation of spin network states on adiabatic quantum computer. The discussion is focused on application of currently available technologies and analyzes a concrete example of D-Wave machine.…