Related papers: Efficient Fourier Basis Particle Simulation
Fast Fourier Transform (FFT)-based solvers for the Poisson equation are highly efficient, exhibiting $O(N\log N)$ computational complexity and excellent parallelism. However, their application is typically restricted to simple, regular…
The Fast Fourier Transform (FFT) over a finite field $\mathbb{F}_q$ computes evaluations of a given polynomial of degree less than $n$ at a specifically chosen set of $n$ distinct evaluation points in $\mathbb{F}_q$. If $q$ or $q-1$ is a…
Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…
Quantum computers offer the potential to simulate nuclear processes that are classically intractable. With the goal of understanding the necessary quantum resources to realize this potential, we employ state-of-the-art…
Hybrid density functional theory (DFT) remains intractable for large periodic systems due to the demanding computational cost of exact exchange. We apply the tensor hypercontraction (THC) (or interpolative separable density fitting)…
Fast Fourier transform (FFT) based methods have turned out to be an effective computational approach for numerical homogenisation. In particular, Fourier-Galerkin methods are computational methods for partial differential equations that are…
Fourier ptychography is a new computational microscopy technique that provides gigapixel-scale intensity and phase images with both wide field-of-view and high resolution. By capturing a stack of low-resolution images under different…
Recent research in deep learning (DL) has investigated the use of the Fast Fourier Transform (FFT) to accelerate the computations involved in Convolutional Neural Networks (CNNs) by replacing spatial convolution with element-wise…
We present a systematic, quasi-automated methodology for generating electronic models in the framework of second-principles density functional theory (SPDFT). This approach enables the construction of accurate and computationally efficient…
The nonlinear Fourier transform (NFT) decomposes waveforms propagating through optical fiber into nonlinear degrees of freedom, which are preserved during transmission. By encoding information on the nonlinear spectrum, a transmission…
The so-called non-uniform FFT (NFFT) is a family of algorithms for efficiently computing the Fourier transform of finite-length signals, whenever the time or frequency grid is nonuniformly spaced. Following the usual classification, there…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
Yen et al. (2012) advanced a direct approach for the calculation of self-gravitational force to second order accuracy based on uniform grid discretization. This method improves the accuracy of N-body calculation by using exact integration…
We give polynomial-time algorithms for the exact computation of lowest-energy (ground) states, worst margin violators, log partition functions, and marginal edge probabilities in certain binary undirected graphical models. Our approach…
We introduce a nonparametric spectral density estimator for continuous-time and continuous-space processes measured at fully irregular locations. Our estimator is constructed using a weighted nonuniform Fourier sum whose weights yield a…
We present a novel method to provide efficient and highly detailed reconstructions. Inspired by wavelets, we learn a neural field that decompose the signal both spatially and frequency-wise. We follow the recent grid-based paradigm for…
We present a new algorithm for reducing an arbitrary unitary matrix U into a sequence of elementary operations (operations such as controlled-nots and qubit rotations). Such a sequence of operations can be used to manipulate an array of…
Convolutional Gridding is a technique (algorithm) extensively used in Radio Interferometric Image Synthesis for fast inversion of functions sampled with irregular intervals on the Fourier plane. In this thesis, we propose some modifications…
State-of-the-art methods for calculating neutral excitation energies are typically demanding and limited to single electron-hole pairs and their composite plasmons. Here we introduce excitonic density-functional theory (XDFT) a…
It is exponentially hard to simulate quantum systems by classical algorithms, while quantum computer could in principle solve this problem polynomially. We demonstrate such an quantum-simulation algorithm on our NMR system to simulate an…