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We suggest a pseudospectral method for solving the three-dimensional time-dependent Gross-Pitaevskii (GP) equation and use it to study the resonance dynamics of a trapped Bose-Einstein condensate induced by a periodic variation in the…
We present a suite of programs to determine the ground state of the time-independent Gross-Pitaevskii equation, used in the simulation of Bose-Einstein condensates. The calculation is based on the Optimal Damping Algorithm, ensuring a fast…
Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that differ by the sharing or replication of key data structures…
This MATLAB program calculates the dynamics of the reduced density matrix of an open quantum system modeled by the Feynman-Vernon model. The user gives the program a vector describing the coordinate of an open quantum system, a hamiltonian…
The programs described in this article and distributed with it aim (1) at integrating the optical Bloch equations governing the time evolution of the density matrix representing the quantum state of an atomic system driven by laser or…
A high-performance gas kinetic solver using multi-level parallelization is developed to enable pore-scale simulations of rarefied flows in porous media. The Boltzmann model equation is solved by the discrete velocity method with an…
As a first approximation beyond linearity, the nonlinear Schr\"odinger equation (NLSE) reliably describes a broad class of physical systems. Though numerical solutions of this model are well-established, these methods can be computationally…
We present two accelerated numerical algorithms for single-component and binary Gross-Pitaevskii (GP) equations coupled with microwaves (electromagnetic fields) in steady state. One is based on a normalized gradient flow formulation, called…
As fusion energy devices advance, plasma simulations are crucial for reactor design. Our work extends BIT1 hybrid parallelization by integrating MPI with OpenMP and OpenACC, focusing on asynchronous multi-GPU programming. Results show…
A general-purpose C++ software program called $\mathbb{CGPOPS}$ is described for solving multiple-phase optimal control problems using adaptive Gaussian quadrature collocation. The software employs a Legendre-Gauss-Radau direct orthogonal…
We present a new method to propagate rotating Bose-Einstein condensates subject to explicitly time-dependent trapping potentials. Using algebraic techniques, we combine Magnus expansions and splitting methods to yield any order methods for…
Gaussian process (GP) regression is a powerful probabilistic modeling technique with built-in uncertainty quantification. When one has access to multiple correlated simulations (tasks), it is common to fit a multitask GP (MTGP) surrogate…
The Poisson-Nernst-Planck (PNP) equations are one of the most effective model for describing electrostatic interactions and diffusion processes in ion solution systems, and have been widely used in the numerical simulations of biological…
We solve the time-independent Gross-Pitaevskii equation modeling the Bose-Einstein condensate trapped in an anistropic harmonic potential using a pseudospectral method. Numerically obtained values for an energy and a chemical potential for…
The increasing number of processing elements and decreas- ing memory to core ratio in modern high-performance platforms makes efficient strong scaling a key requirement for numerical algorithms. In order to achieve efficient scalability on…
Monte Carlo (MC) simulations play a pivotal role in diverse scientific and engineering domains, with applications ranging from nuclear physics to materials science. Harnessing the computational power of high-performance computing (HPC)…
By implementing the exact density matrix for the rotating anisotropic harmonic trap, we derive a class of very fast and accurate fourth order algorithms for evolving the Gross-Pitaevskii equation in imaginary time. Such fourth order…
The field of plasma physics heavily relies on simulations to model various phenomena, such as instabilities, turbulence, and nonlinear behaviors that would otherwise be difficult to study from a purely theoretical approach. Simulations are…
We present a new numerical system using classical finite elements with mesh adaptivity for computing stationary solutions of the Gross-Pitaevskii equation. The programs are written as a toolbox for FreeFem++ (www.freefem.org), a free…
We develop a numerical method for solving the spin-1 Gross-Pitaevskii equation. The basis of our work is a two-way splitting of the spin-1 evolution equation that leads to two exactly solvable flows. We use this to implement a second-order…