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Complex computer codes are often too time expensive to be directly used to perform uncertainty, sensitivity, optimization and robustness analyses. A widely accepted method to circumvent this problem consists in replacing cpu-time expensive…
Starting from a second-quantized Hamiltonian of many-particle systems, we derive the Gross-Pitaevskii (GP) equation in momentum space, which is suitable for studying the multi-wave mixing processes of coherent matter waves. The coupling…
Cholesky factorization is a widely used method for solving linear systems involving symmetric, positive-definite matrices, and can be an attractive choice in applications where a high degree of numerical stability is needed. One such…
We study the numerical solution of the time-dependent Gross-Pitaevskii equation (GPE) describing a Bose-Einstein condensate (BEC) at zero or very low temperature. In preparation for the numerics we scale the 3d Gross-Pitaevskii equation and…
Multiphase compressible flows are often characterized by a broad range of space and time scales. Thus entailing large grids and small time steps, simulations of these flows on CPU-based clusters can thus take several wall-clock days.…
Ground states and dynamical properties of dipolar Bose-Einstein condensate are analyzed based on the Gross-Pitaevskii-Poisson system (GPPS) and its dimension reduction models under anisotropic confining potential. We begin with the…
Markov Chain Monte Carlo methods are algorithms used to sample probability distributions, commonly used to sample the Boltzmann distribution of physical/chemical models (e.g., protein folding, Ising model, etc.). This allows us to study…
OpenMP is a cross-platform API that extends C, C++ and Fortran and provides shared-memory parallelism platform for those languages. The use of many cores and HPC technologies for scientific computing has been spread since the 1990s, and now…
Bose-Einstein condensation has been experimentally found to take place in finite trapped systems when one of the confining frequencies is increased until the gas becomes effectively two-dimensional (2D). We confirm the plausibility of this…
Efficiently solving large-scale linear systems is a critical challenge in electromagnetic simulations, particularly when using the Crank-Nicolson Finite-Difference Time-Domain (CN-FDTD) method. Existing iterative solvers are commonly…
Due to limited possibilities of experimental investigations for non-equilibrium gas flows, numerical results are of highest interest. Although the well-established Direct Simulation Monte Carlo (DSMC) method achieves highly accurate…
Pariser-Parr-Pople (P-P-P) model Hamiltonian has been used extensively over the years to perform calculations of electronic structure and optical properties of $\pi$-conjugated systems successfully. In spite of tremendous successes of…
Probabilistic programming languages (PPLs) are receiving widespread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting…
The paper is concerned with a system of two coupled time-independent Gross-Pitaevskii equations in $\mathbb{R}^2$, which is used to model two-component Bose-Einstein condensates with both attractive intraspecies and attractive interspecies…
A real-world example of adding OpenACC to a legacy MPI FORTRAN Preconditioned Conjugate Gradient code is described, and timing results for multi-node multi-GPU runs are shown. The code is used to obtain three-dimensional spherical solutions…
We demonstrate the implementation of a hybrid OpenMP and MPI parallelization of a conservative spectral method for the Boltzmann equation originally developed by Gamba and Tharkabhushaman. We perform a scaling analysis to demonstrate that…
In this article a perturbative solution of the Gross-Pitaevskii(GP) equation in the $D$-dimensional space $R^D$ with a general external potential is studied. The solution describes the condensate wave-function of a gas containing $N$ Bose…
In this paper, we propose an efficient and accurate numerical method for computing the dynamics of rotating two-component Bose--Einstein condensates (BECs) which is described by coupled Gross--Pitaevskii equations (CGPEs) with an angular…
Quantized vortex states of weakly interacting Bose-Einstein condensate of atoms with attractive interatomic interaction in an axially symmetric harmonic oscillator trap are investigated using the numerical solution of the time-dependent…
While modern parallel computing systems provide high performance resources, utilizing them to the highest extent requires advanced programming expertise. Programming for parallel computing systems is much more difficult than programming for…