Related papers: Efficient Fourier Basis Particle Simulation
We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined for impurities comprising the full unit cell or a supercell…
Based on the sampling theorem, interpolation should be conducted by employing the sinc functions as the kernels. Inspired by the fact that the discrete Fourier transform (DFT) is sampled from the discrete time Fourier transform, a fast…
A surrogate model for particle-in-cell plasma simulations based on a graph neural network is presented. The graph is constructed in such a way as to enable the representation of electromagnetic fields on a fixed spatial grid. The model is…
We introduce a class of algorithms for constructing Fourier representations of Gaussian processes in $1$ dimension that are valid over ranges of hyperparameter values. The scaling and frequencies of the Fourier basis functions are evaluated…
We present a fast and accurate algorithm for the evaluation of nonlocal (long-range) Coulomb and dipole-dipole interactions in free space. The governing potential is simply the convolution of an interaction kernel $U(\bx)$ and a density…
Combustion stabilization and enhancement of the flammability limits are mandatory objectives to improve nowadays combustion chambers. At this purpose, the use of an electric field in the flame region provides a solution which is, at the…
Phase-field models are widely employed to simulate microstructure evolution during processes such as solidification or heat treatment. The resulting partial differential equations, often strongly coupled together, may be solved by a broad…
Standard Ewald sums, which calculate e.g. the electrostatic energy or the force in periodically closed systems of charged particles, can be efficiently speeded up by the use of the Fast Fourier Transformation (FFT). In this article we…
The nonuniform discrete Fourier transform (NUDFT) and its inverse are widely used in various fields of scientific computing. In this article, we propose a novel superfast direct inversion method for type-III NUDFT. The proposed method…
Performing large-scale, accurate quantum simulations of many-fermion systems is a central challenge in quantum science, with applications in chemistry, materials, and high-energy physics. Despite significant progress, realizing generic…
We consider the Fast Fourier Transform (FFT) based numerical method for thin film magnetization problems [Vestg{\aa}rden and Johansen, SuST, 25 (2012) 104001], compare it with the finite element methods, and evaluate its accuracy. Proposed…
The Fast Fourier Transform (FFT) is widely used in applications such as MRI, CT, and interferometry; however, because of its dependence on uniformly sampled data, it requires the use of gridding techniques for practical implementation. The…
We present a spectrally accurate fast algorithm for evaluating the solution to the scalar wave equation in free space driven by a large collection of point sources in a bounded domain. With $M$ sources temporally discretized by $N_t$ time…
We generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real space grids for potentially highly localized single-particle…
A new Particle-in-Cell (PIC) method, that conserves energy exactly, is presented. The particle equations of motion and the Maxwell's equations are differenced implicitly in time by the midpoint rule and solved concurrently by a…
The geometric multigrid method (GMG) is one of the most efficient solving techniques for discrete algebraic systems arising from elliptic partial differential equations. GMG utilizes a hierarchy of grids or discretizations and reduces the…
In measuring the power spectrum of the distribution of large numbers of dark matter particles in simulations, or galaxies in observations, one has to use Fast Fourier Transforms (FFT) for calculational efficiency. However, because of the…
This paper discusses a novel fully implicit formulation for a 1D electrostatic particle-in-cell (PIC) plasma simulation approach. Unlike earlier implicit electrostatic PIC approaches (which are based on a linearized Vlasov-Poisson…
We propose a novel Particle Flow Map (PFM) method to enable accurate long-range advection for incompressible fluid simulation. The foundation of our method is the observation that a particle trajectory generated in a forward simulation…
GPU-based fast Fourier transform (FFT) is extremely important for scientific computing and signal processing. However, we find the inefficiency of existing FFT libraries and the absence of fault tolerance against soft error. To address…