Related papers: Performance of the BGSDC integrator for computing …
In plasma edge simulations, the behavior of neutral particles is often described by a Boltzmann--BGK equation. Solving this kinetic equation and estimating the moments of its solution are essential tasks, typically carried out using Monte…
The dynamics of low-energy induced fission is explored using a consistent microscopic framework that combines the time-dependent generator coordinate method (TDGCM) and time-dependent nuclear density functional theory (TDDFT). While the…
We propose a new route to accelerate molecular dynamics through the use of velocity jump processes allowing for an adaptive time-step specific to each atom-atom pair (2-body) interactions. We start by introducing the formalism of the new…
The collision process is essential to the Direct Simulation Monte Carlo (DSMC) method, as it incorporates the fundamental principles of the Boltzmann and Kac stochastic equations. A series of collision algorithms, known as the…
We present a parallel implicit-explicit time integration scheme for the advection-diffusion-reaction systems arising from the equations governing low-Mach number combustion with complex chemistry. Our strategy employs parallelization across…
The Fast Dose Calculator (FDC), a track repeating algorithm Monte Carlo method was initially developed for proton therapy. The validation for proton therapy has been demonstrated in a previous work. This method can be expanded to ion…
This work discusses the design and testing of a new computational spintronics research software. Boris is a comprehensive multi-physics open-source software, combining micromagnetics modelling capabilities with drift-diffusion spin…
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…
Modern learning algorithms use gradient descent updates to train inferential models that best explain data. Scaling these approaches to massive data sizes requires proper distributed gradient descent schemes where distributed worker nodes…
We propose a preconditioned nonlinear conjugate gradient method coupled with a spectral spatial dis-cretization scheme for computing the ground states (GS) of rotating Bose-Einstein condensates (BEC), modeled by the Gross-Pitaevskii…
We perform GRMHD and RMHD simulations of weakly and highly magnetized gamma-ray burst (GRB) jets propagating in binary neutron star (BNS) merger ejecta. Using the simulations, we first find that mixing between the jet and cocoon, which is…
The ion injectors of the CERN accelerator chain, in particular the Super Proton Synchrotron (SPS) and the Low Energy Ion Ring (LEIR), operate in a strong space charge~(SC) and intrabeam scattering (IBS) regime, which can degrade beam…
Iterative algorithms have many advantages for linear tomographic image reconstruction when compared to back-projection based methods. However, iterative methods tend to have significantly higher computational complexity. To overcome this,…
In the framework of detector development, Monte Carlo simulations play a key role in the evaluation of the expected performance and the full understanding of the behavior in beam conditions. In particular, a software which simulates the…
In this paper, we propose a collective Thomson scattering diagnostic for fast ion measurements for the gas-dynamic trap (GDT) facility at the Budker Institute. The diagnostic utilizes 54.5 GHz gyrotron usually used for electron cyclotron…
In many materials systems, such as catalytic nanoparticles, the ability to characterize dynamic atomic structural changes is important for developing a more fundamental understanding of functionality. Recent developments in direct electron…
We develop an algorithm for bosonic path integral molecular dynamics (PIMD) simulations with periodic boundary conditions (PBC) that scales quadratically with the number of particles. Path integral methods are a powerful tool to simulate…
Despite rapid progress in the development of quantum algorithms in quantum computing as well as numerical simulation methods in classical computing for atomic and molecular applications, no systematic and comprehensive electronic structure…
The particle number projected BCS (PBCS) approximation is tested against the exact solution of the SO(5) Richardson-Gaudin model for isovector pairing in a system of non-degenerate single particle orbits. Two isovector PBCS wave functions…
Many stochastic processes in the physical and biological sciences can be modelled as Brownian dynamics with multiplicative noise. However, numerical integrators for these processes can lose accuracy or even fail to converge when the…