Related papers: OpenMP GNU and Intel Fortran programs for solving …

We describe a parallelised version of the MOLDY molecular dynamics program. This Fortran code is aimed at systems which may be described by short-range potentials and specifically those which may be addressed with the embedded atom method.…

We present several exact solutions to the coupled nonlinear Gross-Pitaevskii equations which describe the motion of the one-dimensional spin-2 Bose-Einstein condensates. The nonlinear density-density interactions are decoupled by making use…

To accelerate the solution of large eigenvalue problems arising from many-body calculations in nuclear physics on distributed-memory parallel systems equipped with general-purpose Graphic Processing Units (GPUs), we modified a previously…

Particle-in-Cell (PIC) Monte Carlo (MC) simulations are central to plasma physics but face increasing challenges on heterogeneous HPC systems due to excessive data movement, synchronization overheads, and inefficient utilization of multiple…

The year 2025 marks the 100 and 30 years anniversaries of the discovery of Bose--Einstein condensation and its successful experimental realisation. Inspired by these important research achievements, a conceptually simple approach is…

We analytically solve the one-dimensional coupled Gross-Pitaevskii equations which govern the motion of F=1 spinor Bose-Einstein condensates. The nonlinear density-density interactions are decoupled by making use of the unique properties of…

We provide analytical three-dimensional bright multi-soliton solutions to the (3+1)-dimensional Gross-Pitaevskii (GP) equation with time and space-dependent potential, time-dependent nonlinearity, and gain/loss. The zigzag propagation trace…

We present a numerical scheme for solving the time-independent nonlinear Gross-Pitaevskii equation in two dimensions describing the Bose-Einstein condensate of trapped interacting neutral atoms at zero temperature. The trap potential is…

In the present paper we consider numerical methods to solve the discrete Schr\"odinger equation with a time dependent Hamiltonian (motivated by problems encountered in the study of spin systems). We will consider both short-range…

We study certain stationary and time-evolution problems of trapped Bose-Einstein condensates using the numerical solution of the Gross-Pitaevskii equation with both spherical and axial symmetries. We consider time-evolution problems…

An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled,…

We consider the time-dependent Gross-Pitaevskii equation describing the dynamics of rotating Bose-Einstein condensates and its discretization with the finite element method. We analyze a mass conserving Crank-Nicolson-type discretization…

We present a numerical study of the time-dependent and time-independent Gross-Pitaevskii (GP) equation in two space dimensions, which describes the Bose-Einstein condensate of trapped bosons at ultralow temperature with both attractive and…

We extend the Projected Gross Pitaevskii equation formalism of Davis et al. [Phys. Rev. Lett. \bf{87}, 160402 (2001)] to the experimentally relevant case of harmonic potentials. We outline a robust and accurate numerical scheme that can…

We present a data-parallel software package for fitting Gaussian Approximation Potentials (GAPs) on multiple nodes using the ScaLAPACK library with MPI and OpenMP. Until now the maximum training set size for GAP models has been limited by…

The MuST package is a computational software designed for ab initio electronic structure calculations for solids. The Locally Self-consistent Multiple Scattering (LSMS) method implemented in MuST allows to perform the electronic structure…

We study exact solutions of the quasi-one-dimensional Gross-Pitaevskii (GP) equation with the (space, time)-modulated potential and nonlinearity and the time-dependent gain or loss term in Bose-Einstein condensates. In particular, based on…

This paper describes and illustrates functionality of the spNNGP R package. The package provides a suite of spatial regression models for Gaussian and non-Gaussian point-referenced outcomes that are spatially indexed. The package implements…

We derive the time-dependent two-component Gross--Pitaevskii (GP) equation as an effective description of the dynamics of a dilute two-component Bose gas near its ground state, which exhibits a two-component Bose-Einstein condensate, in the…

We present and distribute a parallel finite-element toolbox written in the free software FreeFem for computing the Bogoliubov-de Gennes (BdG) spectrum of stationary solutions to one- and two-component Gross-Pitaevskii (GP) equations, in two…