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Recently several gain-dissipative platforms based on the networks of optical parametric oscillators, lasers, and various non-equilibrium Bose-Einstein condensates have been proposed and realised as analogue Hamiltonian simulators for…
The MPLAPACK (formerly MPACK) is a multiple-precision version of LAPACK (https://www.netlib.org/lapack/). MPLAPACK version 2.0.1 is based on LAPACK version 3.9.1 and translated from Fortran 90 to C++ using FABLE, a Fortran to C++…
We introduce a framework and early results for massively scalable Gaussian processes (MSGP), significantly extending the KISS-GP approach of Wilson and Nickisch (2015). The MSGP framework enables the use of Gaussian processes (GPs) on…
A modern graphics processing unit (GPU) is able to perform massively parallel scientific computations at low cost. We extend our implementation of the checkerboard algorithm for the two dimensional Ising model [T. Preis et al., J. Comp.…
RISC-V allows for building general-purpose computing platforms with programmable accelerators around a single open-source ISA. However, leveraging heterogeneous SoCs within high-level applications is a tedious task. In this preliminary…
We propose a fully decoupled, structure-preserving relaxation Crank--Nicolson finite element method (FEM) for the coupled Gross--Pitaevskii--Poisson (GPP) system modeling ultracold plasmas. By introducing suitable auxiliary variables to…
We study certain stationary and time-evolution problems of trapped Bose-Einstein condensates of weakly interacting alkali atoms described by a nonlinear Gross-Pitaevskii (GP) equation. We suggest a pseudospectral method involving Laguerre…
Quasiparticle self-consistent many-body perturbation theory (MBPT) methods that update both eigenvalues and eigenvectors can calculate the excited-state properties of molecular systems without depending on the choice of starting points.…
In this paper, we propose a computable error estimate of the Gross-Pitaevskii equation for ground state solution of Bose-Einstein condensates by general conforming finite element methods on general meshes. Based on the proposed error…
In this paper, we propose an efficient and spectrally accurate numerical method for computing the dynamics of rotating Bose-Einstein condensates (BEC) in two dimensions (2D) and 3D based on the Gross-Pitaevskii equation (GPE) with an…
In this work we present the porting to Graphics Processing Units (GPUs, using OpenMP target directives) and optimization of a key module within the cosmological {\pinocchio} code, a Lagrangian Perturbation Theory (LPT)-based framework…
Numerical simulations are a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States…
We present a parallel implementation of a direct solver for the Poisson's equation on extreme-scale supercomputers with accelerators. We introduce a chunked-pencil decomposition as the domain-decomposition strategy to distribute work among…
In this paper we describe an autotuning tool for optimization of OpenMP applications on highly multicore and multithreaded architectures. Our work was motivated by in-depth performance analysis of scientific applications and synthetic…
The focusing of a propagating untrapped Bose-Einstein condensate is studied theoretically. We use a scaling solution method comprising a time-dependent scaling function to analytically examine the dynamics of a falling Bose-Einstein…
Quantum phenomena appear in a macroscopic scale in Bose-Einstein condensates. The Gross-Pitaevskii (GP) equation describes the dynamics of the weakly interacting Bose-Einstein condensates. The GP equation has a form of the Schroedinger…
This paper presents our work toward correct and efficient automatic differentiation of OpenMP parallel worksharing loops in forward and reverse mode. Automatic differentiation is a method to obtain gradients of numerical programs, which are…
We completed the development of simulation code that is designed to study the behavior of a conjectured dark matter galactic halo that is in the form of a Bose-Einstein Condensate (BEC). The BEC is described by the Gross-Pitaevskii…
New efficient and accurate numerical methods are proposed to compute ground states and dynamics of dipolar Bose-Einstein condensates (BECs) described by a three-dimensional (3D) Gross-Pitaevskii equation (GPE) with a dipolar interaction…
Significant improvements in the computational performance of the lattice-Boltzmann (LB) model, coded in FORTRAN90, were achieved through application of enhancement techniques. Applied techniques include optimization of array memory layouts,…