Related papers: A Performance-Portable, Massively Parallel Distrib…
Deep learning has delivered its powerfulness in many application domains, especially in image and speech recognition. As the backbone of deep learning, deep neural networks (DNNs) consist of multiple layers of various types with hundreds to…
We present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing…
A simple least-squares optimisation enables the determination of the spectrum for irregularly sampled data that is readily reconstructed using an adjoint transformation of the Non-Uniform Fast Fourier Transform (NFFT). This is an…
We propose an efficient and accurate solver for the nonlocal potential in the Davey-Stewartson equation using nonuniform FFT (NUFFT). A discontinuity in the Fourier transform of the nonlocal potential causes accuracy locking if the…
We develop the uniform sparse Fast Fourier Transform (usFFT), an efficient, non-intrusive, adaptive algorithm for the solution of elliptic partial differential equations with random coefficients. The algorithm is an adaption of the sparse…
Edge devices are being deployed at increasing volumes to sense and act on information from the physical world. The discrete Fourier transform (DFT) is often necessary to make this sensed data suitable for further processing -- such as by…
Study of general purpose computation by GPU (Graphics Processing Unit) can improve the image processing capability of micro-computer system. This paper studies the parallelism of the different stages of decimation in time radix 2 FFT…
Nonlinear Fourier division Multiplexing (NFDM) can be realized from modulating the discrete nonlinear spectrum of an $N$-solitary waveform. To generate an $N$-solitary waveform from desired discrete spectrum (eigenvalue and discrete…
Realistic simulation of quantum materials is a central goal of quantum computation. Although quantum processors have advanced rapidly in scale and fidelity, it has remained unclear whether pre-fault-tolerant devices can perform…
We present and compare distributed parallelization strategies for the particle-in-Fourier (PIF) schemes used in kinetic plasma simulations. The different strategies are i) domain decomposition, where both the particles and Fourier modes are…
This article presents MuMFiM, an open source application for multiscale modeling of fibrous materials on massively parallel computers. MuMFiM uses two scales to represent fibrous materials such as biological network materials (extracellular…
In the field of High Performance Computing, communications among processes represent a typical bottleneck for massively parallel scientific applications. Object of this research is the development of a network interface card with specific…
The Number Theoretic Transform (NTT) is an indispensable tool for computing efficient polynomial multiplications in post-quantum lattice-based cryptography. It has strong resemblance with the Fast Fourier Transform (FFT), which is the most…
With the growing reliance of modern supercomputers on accelerator-based architectures such a GPUs, the development and optimization of electronic structure methods to exploit these massively parallel resources has become a recent priority.…
The Python package fluidfft provides a common Python API for performing Fast Fourier Transforms (FFT) in sequential, in parallel and on GPU with different FFT libraries (FFTW, P3DFFT, PFFT, cuFFT). fluidfft is a comprehensive FFT framework…
We present a GPU-portable implementation of a real-space density functional theory (DFT) code ``QUMASUN'' and benchmark it on the new Plasma Simulator featuring Intel Xeon 6980P CPUs, and AMD MI300A GPUs. Additional tests were performed on…
With rapid progress in deep learning, neural networks have been widely used in scientific research and engineering applications as surrogate models. Despite the great success of neural networks in fitting complex systems, two major…
Kinetic instabilities are one of the most challenging aspects in computational plasma physics. Accurately capturing their onset and evolution requires fine resolution of the high-dimensional distribution functions of each relevant species,…
The fast Fourier transform (FFT) is a primitive kernel in numerous fields of science and engineering. OpenFFT is an open-source parallel package for 3-D FFTs, built on a communication-optimal domain decomposition method for achieving…
We present an efficient solver for massively-parallel direct numerical simulations of incompressible turbulent flows. The method uses a second-order, finite-volume pressure-correction scheme, where the pressure Poisson equation is solved…