Related papers: Fast Fourier Transform Simulation Techniques for C…
The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…
Although Fourier series approximation is ubiquitous in computational physics owing to the Fast Fourier Transform (FFT) algorithm, efficient techniques for the fast evaluation of a three-dimensional truncated Fourier series at a set of…
A large share of today's HPC workloads is used for Ab-Initio Molecular Dynamics (AIMD) simulations, where the interatomic forces are computed on-the-fly by means of accurate electronic structure calculations. They are computationally…
Fourier solvers have become efficient tools to establish structure-property relations in heterogeneous materials. Introduced as an alternative to the Finite Element (FE) method, they are based on fixed-point solutions of the…
We present a new version of the fast Gauss transform (FGT) for discrete and continuous sources. Classical Hermite expansions are avoided entirely, making use only of the plane-wave representation of the Gaussian kernel and a new…
Fourier transform methods are used to analyze functions and data sets to provide frequencies, amplitudes, and phases of underlying oscillatory components. Fast Fourier transform (FFT) methods offer speed advantages over evaluation of…
We describe the computational techniques employed in the recently updated Fourier local correlation tracking (FLCT) method. The FLCT code is then evaluated using a series of simple, 2D, known flow patterns that test its accuracy and…
In recent years, the quantum computing method has been used to address the sign problem in traditional Monte Carlo lattice gauge theory (LGT) simulations. We propose that the Coulomb gauge (CG) should be used in quantum simulations of LGT.…
Simulating quantum dynamics of lattice gauge theories (LGTs) is an exciting frontier in quantum science. Programmable quantum simulators based on neutral atom arrays are a promising approach to achieve this goal, since strong Rydberg…
The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system…
The lattice Boltzmann method has become a standard technique for simulating a wide range of fluid flows. However, the intrinsic coupling of momentum and space discretization restricts the traditional lattice Boltzmann method to regular…
Discrete cosine transform (DCT) and other Fourier-related transforms have broad applications in scientific computing. However, off-the-shelf high-performance multi-dimensional DCT (MD DCT) libraries are not readily available in parallel…
Analog quantum simulation based on ultracold atoms in optical lattices has catalyzed significant breakthroughs in the study of quantum many-body systems. These simulations rely on the statistical sampling of electronic Fock states, which…
We introduce a Markov Chain Monte Carlo (MCMC) algorithm that dramatically accelerates the simulation of quantum many-body systems, a grand challenge in computational science. State-of-the-art methods for these problems are severely limited…
An implementation of the fast multiple method (FMM) is performed for magnetic systems with long-ranged dipolar interactions. Expansion in spherical harmonics of the original FMM is replaced by expansion of polynomials in Cartesian…
Building upon the Integer Lattice Gas Automata framework of Blommel \textit{et al.} \cite{PhysRevE.97.023310}, we introduce a simplified, fluctuation-free variant. This approach relies on floating-point numbers and closely mirrors the…
In this paper we use a fluid-structure interaction (FSI) approach to simulate a Coriolis mass flowmeter (CMF). The fluid dynamics are calculated by the open source framework OpenLB, based on the lattice Boltzmann method (LBM). For the…
We implement the effective field theory (EFT) approach to dark energy and modified gravity in the public Einstein-Boltzmann solver CAMB. The resulting code, which we dub EFTCAMB, is a powerful and versatile tool that can be used for several…
Fluids with competing short range attraction and long range repulsive interactions between the particles can exhibit a variety of microphase separated structures. We develop a lattice-gas (generalised Ising) model and analyse the phase…
Simulating mobile liquid-gas interfaces with the free-surface lattice Boltzmann method (FSLBM) requires frequent re-initialization of fluid flow information in computational cells that convert from gas to liquid. The corresponding…