Related papers: Efficient Fourier Basis Particle Simulation
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
The pseudo-polar Fourier transform is a specialized non-equally spaced Fourier transform, which evaluates the Fourier transform on a near-polar grid, known as the pseudo-polar grid. The advantage of the pseudo-polar grid over other…
This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…
Modern power systems face new operational hurdles due to the increasing adoption of inverter-coupled distributed energy resources, which impact system stability and control. Central to these challenges is the dynamic nature of grid…
We develop a time-dependent, grid-based framework for simulating infrared spectra that is specifically designed for quantum computers. The proposed circuit employs a probabilistic strategy for applying the non-unitary dipole operator and an…
The bottleneck of micromagnetic simulations is the computation of the long-ranged magnetostatic fields. This can be tackled on regular N-node grids with Fast Fourier Transforms in time N logN, whereas the geometrically more versatile finite…
In this article we introduce a novel coupled algorithm for massively parallel direct numerical simulations of electrophoresis in microfluidic flows. This multiphysics algorithm employs an Eulerian description of fluid and ions, combined…
Accurately estimating the point spread function (PSF) of an optical system requires solving free-space wave propagation, which entails evaluating a diffraction integral. This integral is traditionally computed numerically using Fast Fourier…
The Quantum Fourier Transform (QFT) is a fundamental component of many quantum computing algorithms. In this paper, we present an alternative method for factoring this transformation. Inspired by this approach, we introduce a new quantum…
We develop an error-free, nonuniform phase-stepping algorithm (nPSA) based on principal component analysis (PCA). PCA-based algorithms typically give phase-demodulation errors when applied to nonuniform phase-shifted interferograms. We…
The present study addresses the challenge of enhancing computational efficiency without compromising accuracy in numerical simulations of vacuum gas dynamics using the direct simulation Monte Carlo (DSMC) method. A technique termed "fixed…
Density matrices evolved according the von Neumann equation are commonly used to simulate the dynamics of driven quantum systems. However, computational methods using density matrices are often too slow to explore the large parameter spaces…
Image computation is a fundamental tool for performance assessment of astronomical instrumentation, usually implemented by Fourier transform techniques. We review the numerical implementation, evaluating a direct implementation of the…
We present a MATLAB-based framework for two- and three-dimensional fast Fourier transforms on multiple GPUs for large-scale numerical simulations using the pseudo-spectral Fourier method. The software implements two complementary multi-GPU…
Neural operators, serving as physics surrogate models, have recently gained increased interest. With ever increasing problem complexity, the natural question arises: what is an efficient way to scale neural operators to larger and more…
A new method ( PI-DFT ) which combines path integrals and density functional theory is proposed as a pathway to many fields of physics. Within path integral theory it is possible to construct particle densities without explicitly…
The most popular algorithm for the nonuniform fast Fourier transform (NUFFT) uses the dilation of a kernel $\phi$ to spread (or interpolate) between given nonuniform points and a uniform upsampled grid, combined with an FFT and diagonal…
We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time retains the explicit computational cycle and conserves…
Fast Fourier transform (FFT) of large number of samples requires huge hardware resources of field programmable gate arrays (FPGA), which needs more area and power. In this paper, we present an area efficient architecture of FFT processor…
We describe a charge-conserving scatter-gather algorithm for particle-in-cell simulations on unstructured grids. Charge conservation is obtained from first principles, i.e., without the need for any post-processing or correction steps. This…