Related papers: mudirac: a Dirac equation solver for elemental ana…
In nuclear engineering studies, uncertainty and sensitivity analyses of simulation computer codes can be faced to the complexity of the input and/or the output variables. If these variables represent a transient or a spatial phenomenon, the…
DiracBilinears.jl is a Julia package for computing Dirac bilinears, which are fundamental physical quantities of electrons in relativistic quantum theory, using first-principles calculations for solids. In relativistic quantum theory, 16…
A study of fundamental geometrical interactions shows that the Dirac electron can be represented as a conformal wave. A Riemannian space is used, having coordinates that transform locally as spinors. The wave function becomes a gradient.…
Preparing problems for execution on quantum computers can require many compilation steps. Automated compilation software is useful not only for easier and faster problem execution, but also for facilitating the comparison between different…
The interaction between multilevel quantum systems and coherent radiation underlies several phenomena in modern atomic optics. The formulation and solution of the Bloch equations, which describe the dynamics of such systems, become complex…
Computational physics is an important tool for analysing, verifying, and -- at times -- replacing physical experiments. Nevertheless, simulating quantum systems and analysing quantum data has so far resisted an efficient classical treatment…
The Dirac operator provides a unified framework for processing signals defined over different order topological domains, such as node and edge signals. Its eigenmodes define a spectral representation that inherently captures cross-domain…
In the present work we study numerical solution of the radial Dirac equation in a specific case - ab-initio pseudopotential generating process - which is needed within the electronic structure calculations using a Density Functional Theory…
A semiempirical parametric method is proposed for modeling three-dimensional (time-resolved) vibronic spectra of polyatomic molecules. The method is based on the use of the fragment approach in the formation of molecular models for excited…
We introduce ParaToric, a C++ package for simulating the toric code in a parallel field (i.e., $X$- and $Z$-fields) at finite temperature. We implement and extend the continuous-time quantum Monte Carlo algorithm of Wu, Deng, and Prokof'ev…
Today, relativistic calculations are known to provide a very successful means in the study of open-shell atoms and ions. But although accurate atomic data are obtained from these computations, they are traditionally carried out in…
We introduce the MuSe-Toolbox - a Python-based open-source toolkit for creating a variety of continuous and discrete emotion gold standards. In a single framework, we unify a wide range of fusion methods and propose the novel Rater Aligned…
MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…
Exact diagonalization (ED) is a cornerstone technique in quantum many-body physics, enabling precise solutions to the Schr\"odinger equation for interacting quantum systems. Despite its utility in studying ground states, excited states, and…
With advanced imaging, sequencing, and profiling technologies, multiple omics data become increasingly available and hold promises for many healthcare applications such as cancer diagnosis and treatment. Multimodal learning for integrative…
The time-dependent Dirac equation can be solved exactly for ionization induced by ultrarelativistic heavy ion collisions. Ionization calculations are carried out in such a framework for a number of representative ion-ion pairs. For each…
The article deals with a number of the existings variants of direct calculation of amplitudes of processes with polarized Dirac particles. It is shown, that all of them are special cases of one and the same mathematical scheme. The…
Monte Carlo (MC) simulations are powerful computational tools for investigating thermodynamic behavior and validating analytical approaches in complex physical systems. Here we present ETHER (Efficient Tool for THermodynamics Exploration…
Solving linear systems of polynomial equations is a ubiquitous problem in both mathematics and physics. The standard approach, Gaussian elimination, scales cubically with system size and often constitutes a computational bottleneck. The…
Exact solutions are found to the Dirac equation for a combination of Lorentz scalar and vector Coulombic potentials with additional non-Coulombic parts. An appropriate linear combination of Lorentz scalar and vector non-Coulombic…