Related papers: P3M algorithm for dipolar interactions
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…
This paper investigates the parareal algorithms for solving the stochastic Maxwell equations driven by multiplicative noise, focusing on their convergence, computational efficiency and numerical performance. The algorithms use the…
A modification of the Adaptive Biasing Force method is introduced, in which the free energy is approximated by a sum of tensor products of one-dimensional functions. This enables to handle a larger number of reaction coordinates than the…
In this work we have used extensive Monte Carlo simulations and finite size scaling theory to study the phase transition in the dipolar Planar Rotator model (dPRM), also known as dipolar XY model. The true long-range character of the…
In this paper, we derive the Ewald method for inverse power-law interactions in quasi-two dimensional systems. The derivation is done by using two different analytical methods. The first uses the Parry's limit, that considers the Ewald…
Quadratic regression goes beyond the linear model by simultaneously including main effects and interactions between the covariates. The problem of interaction estimation in high dimensional quadratic regression has received extensive…
The Ewald3D sum with the tinfoil boundary condition (e3dtf) evaluates the electrostatic energy of a finite unit cell inside an infinitely periodic supercell. Although it has been used as a {\it de facto} standard treatment of electrostatics…
One of the oldest and most studied subject in scientific computing is algorithms for solving partial differential equations (PDEs). A long list of numerical methods have been proposed and successfully used for various applications. In…
The classical EMD algorithm has been used extensively in the literature to decompose signals that contain nonlinear waves. However when a signal contain two or more frequencies that are close to one another the decomposition might fail. In…
Proposals aimed at measuring the Electric Dipole Moment (EDM) for charged particles require a good understanding of the systematic errors that can contribute to a vertical spin buildup mimicking the EDM signal to be detected. In what…
We study a linearly transformed particle method for the aggregation equation with smooth or singular interaction forces. For the smooth interaction forces, we provide convergence estimates in $L^1$ and $L^\infty$ norms depending on the…
In three-dimensional computational topology, the theory of normal surfaces is a tool of great theoretical and practical significance. Although this theory typically leads to exponential time algorithms, very little is known about how these…
We give an effective method to compute the entropy for polynomials orthogonal on a segment of the real axis that uses as input data only the coefficients of the recurrence relation satisfied by these polynomials. This algorithm is based on…
This paper proposes an efficient FDTD technique for determining electromagnetic fields interacting with a finite-sized 2D and 3D periodic structures. The technique combines periodic boundary conditions---modelling fields away from the edges…
Microscopic control over polar molecules with tunable interactions would enable realization of novel quantum phenomena. Using an applied electric field gradient, we demonstrate layer-resolved state preparation and imaging of ultracold…
Basing on a modification of the "Dichotomy Algorithm" (Terekhov, 2010), we propose a parallel procedure for solving tridiagonal systems of equations with Toeplitz matrices. Taking the structure of the Toeplitz matrices, we may substantially…
Despite the intrinsic coupling between electric and magnetic fields in random stationary light, their polarization properties are not mutually determined. A complete second-order description thus necessitates a joint electromagnetic…
Nonlinear partial differential equations (PDEs) are used to model dynamical processes in a large number of scientific fields, ranging from finance to biology. In many applications standard local models are not sufficient to accurately…
We address the efficient computation of power-law-based interaction potentials of homogeneous $d$-dimensional bodies with an infinite $n$-dimensional array of copies, including their higher-order derivatives. This problem forms a serious…
We propose extensions and improvements of the statistical analysis of distributed multipoles (SADM) algorithm put forth by Chipot et al. in [6] for the derivation of distributed atomic multipoles from the quantum-mechanical electrostatic…