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We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows one to treat the system at the particle level in selected regions of space, and at the continuum level elsewhere. It is derived…
Large galaxy surveys demand fast and scalable estimators for anisotropic clustering statistics beyond the monopole. We present a suite of efficient FFT-based estimators for power-spectrum and bispectrum multipoles, built upon exact…
We present formulas for accurate numerical conversion between functions represented by multiwavelets and their multipole/local expansions with respect to the kernel of the form, $e^{\lambda r}/r$. The conversion is essential for the…
We present a numerical method for the analysis of mutual coupling effects in large, dense and irregular arrays with identical antennas. Building on the Method of Moments (MoM), our technique employs a Macro Basis Function (MBF) approach for…
Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…
In this paper, we consider numerical simulations of the nonlocal optical response of metallic nanostructure arrays inside a dielectric host, which is of particular interest to the nanoplasmonics community due to many unusual properties and…
Metasurfaces, consisting of large arrays of interacting subwavelength scatterers, pose significant challenges for general-purpose computational methods due to their large electric dimensions and multiscale nature. This paper introduces an…
The field-circuit coupled simulation of switch-mode power converters with conventional time discretization is computationally expensive since very small time steps are needed to appropriately account for steep transients occurring inside…
Simulating the time-evolution of a Hamiltonian is one of the most promising applications of quantum computers. Multi-Product Formulas (MPFs) are well suited to replace standard product formulas since they scale better with respect to time…
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…
Magnetite has attracted increasing attention in recent years due to its promising and diverse applications in biomedicine. Theoretical modelling can play an important role in understanding magnetite-based nanomaterials at the atomic scale…
In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountered in a wide variety of situations,…
In this work, we benchmark and discuss the performance of the scalable methods for the Poisson problem which are used widely in practice: the fast Fourier transform (FFT), the fast multipole method (FMM), the geometric multigrid (GMG), and…
NV center is one of the most promising platforms in the field of quantum sensing. Magnetometry based on NV center, especially, has achieved a concrete development in regions of biomedicine and medical diagnostics. Improving the sensitivity…
In this paper, we propose a multiscale method for the Darcy-Forchheimer model in highly heterogeneous porous media. The problem is solved in the framework of generalized multiscale finite element methods (GMsFEM) combined with a multipoint…
The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations,…
As mechanical devices in the nano/micro length scale are increasingly employed, it is crucial to understand nanoscale friction and wear especially at technically relevant sliding velocities. Accordingly, a novel technique has been developed…
Several techniques have appeared in the literatuare to solve the equations of time-dependent density functional theory. We compare the efficiency of different methods based on mesh representations of the wave function (direct and Fourier…
Factorization machine (FM) variants are widely used for large scale real-time content recommendation systems, since they offer an excellent balance between model accuracy and low computational costs for training and inference. These systems…
The paper describes an explicit multi-dimensional numerical scheme for Special Relativistic Two-Fluid Magnetohydrodynamics of electron-positron plasma and a suit of test problems. The scheme utilizes Cartesian grid and the third order WENO…