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The validation, verification, and uncertainty quantification of computationally expensive theoretical models of quantum many-body systems require the construction of fast and accurate emulators. In this work, we develop emulators for…
In boundary element methods (BEM) in $\mathbb{R}^3$, matrix elements and right hand sides are typically computed via analytical or numerical quadrature of the layer potential multiplied by some function over line, triangle and tetrahedral…
The efficient simulation of fluid-structure interactions at zero Reynolds number requires the use of fast summation techniques in order to rapidly compute the long-ranged hydrodynamic interactions between the structures. One approach for…
Quantum nanosystems involve the coupled dynamics of fermions or bosons across multiple scales in space and time. Examples include quantum dots, superconducting or magnetic nanoparticles, molecular wires, and graphene nanoribbons. The number…
We propose high-order FDTD schemes based on the Correction Function Method (CFM) for Maxwell's interface problems with discontinuous coefficients and complex interfaces. The key idea of the CFM is to model the correction function near an…
The three most common methods, Ewald, fast multipole (FMM) and the particle-particle particle-mesh (PPPM), used to compute the interactions in many body Coulombic systems are compared for single and multi-processor machines. The Ewald…
Finite-difference time-domain (FDTD) simulations often involve physical quantities spanning multiple orders of magnitude, such as the speed of light or electromagnetic field amplitudes. The standard practice for maintaining numerical…
Magneto-static finite element (FE) simulations make numerical optimization of electrical machines very time-consuming and computationally intensive during the design stage. In this paper, we present the application of a hybrid data-and…
The simulation of nuclear magnetic resonance (NMR) experiments is a notoriously difficult task, if many spins participate in the dynamics. The recently established dynamic mean-field theory for high-temperature spin systems (spinDMFT)…
Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time…
We present an efficient algorithm for computing the exact exchange contributions in the Hartree-Fock and hybrid density functional theory models on the basis of the fast multipole method (FMM). Our algorithm is based on the observation that…
This paper proposes a novel scheme for cell-free massive multiple-input multiple-output (CFmMIMO) networks to support any federated learning (FL) framework. This scheme allows each instead of all the iterations of the FL framework to happen…
In this paper, we present a fast multipole method (FMM) for solving the two-dimensional Laplace equation in a half-plane with Robin boundary conditions. The method is based on a novel expansion theory for the reaction component of the…
Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space first-quantised representation of the molecular Hamiltonian…
Vortex element methods are often used to efficiently simulate incompressible flows using Lagrangian techniques. Use of the FMM (Fast Multipole Method) allows considerable speed up of both velocity evaluation and vorticity evolution terms in…
A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…
We present a quasi-linearly scaling, first order polynomial finite element method for the solution of the magnetostatic open boundary problem by splitting the magnetic scalar potential. The potential is determined by solving a Dirichlet…
The Material Point Method (MPM) has become a cornerstone of physics-based simulation, widely used in geomechanics and computer graphics for modeling phenomena such as granular flows, viscoelasticity, fracture mechanics, etc. Despite its…
Numerical geodynamo simulations with parameters close to an Earth-like regime would be of great interest for understanding the dynamics of the Earth's liquid outer core and the associated geomagnetic field. Such simulations are far too…
A fast full-wave simulation technique is presented for the analysis of large irregular planar arrays of identical 3-D metallic antennas. The solution method relies on the Macro Basis Functions (MBF) approach and an interpolatory technique…