Related papers: P3M algorithm for dipolar interactions
Dipolar interactions govern the structure and dynamics of many soft-matter systems, from molecular to colloids assemblies. When dipole moments are induced by an external field, mutual interactions lead to a many-body magnetization response…
Improving the controllability of power networks is crucial as they are highly complex networks operating in synchrony; even minor perturbations can cause desynchronization and instability. To that end, one needs to assess the criticality of…
In this paper we consider finding a geometric minimum-sum dipolar spanning tree in R^3, and present an algorithm that takes O(n^2 log^2 n) time using O(n^2) space, thus almost matching the best known results for the planar case. Our…
In this paper we present a Fourier feature based deep domain decomposition method (F-D3M) for partial differential equations (PDEs). Currently, deep neural network based methods are actively developed for solving PDEs, but their efficiency…
We introduce a method for determining the functional form of the stochastic and dissipative interactions in a dissipative particle dynamics (DPD) model from projected phase space trajectories. The DPD model is viewed as a coarse graining of…
A crucial aspect in the simulation of electrochemical interfaces consists in treating the distribution of electronic charge of electrode materials that are put in contact with an electrolyte solution. Recently, it has been shown how a…
Differential and total breakup cross sections as well as vector and tensor analyzing powers for p-d scattering are studied for energies above the deuteron breakup threshold up to E(lab)=28 MeV. The p-d scattering wave function is expanded…
The sum-of-squares method can give rigorous lower bounds on the energy of quantum Hamiltonians. Unfortunately, typically using this method requires solving a semidefinite program, which can be computationally expensive. Further, the…
Ensemble weather predictions require statistical post-processing of systematic errors to obtain reliable and accurate probabilistic forecasts. Traditionally, this is accomplished with distributional regression models in which the parameters…
We present a rigorous theoretical analysis of the convergence rate of the deep mixed residual method (MIM) when applied to a linear elliptic equation with various types of boundary conditions. The MIM method has been proposed as a more…
This paper tackles the data completion problem related to the Helmholtz equation. The goal is to identify unknown boundary conditions on parts of the boundary that cannot be accessed directly, by making use of measurements collected from…
Quasi two-dimensional Coulomb systems have drawn widespread interest. The reduced symmetry of these systems leads to complex collective behaviors, yet simultaneously poses significant challenges for particle-based simulations. In this…
We study effective three-particle interactions between valence electrons, which are induced by the core polarization. Such interactions are enhanced when valence orbitals have strong overlap with the outermost core shell, in particular for…
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…
The evaluation of long-range Coulomb interactions is a significant cost in molecular dynamics (MD), even when using Particle Mesh Ewald (PME) or Particle-Particle-Particle-Mesh (PPPM) methods, which rely on Ewald splitting and the fast…
Ewald summation is an efficient method for computing the periodic sums that appear when considering the Green's functions of Stokes flow together with periodic boundary conditions. We show how Ewald summation, and accompanying truncation…
For many fundamental problems in computational topology, such as unknot recognition and $3$-sphere recognition, the existence of a polynomial-time solution remains unknown. A major algorithmic tool behind some of the best known algorithms…
The ENUF method, i.e., Ewald summation based on the Non-Uniform FFT technique (NFFT), is implemented in Dissipative Particle Dynamics (DPD) simulation scheme to fast and accurately calculate the electrostatic interactions at mesoscopic…
We introduce the EMC algorithm for reconstructing a particle's 3D diffraction intensity from very many photon shot-noise limited 2D measurements, when the particle orientation in each measurement is unknown. The algorithm combines a…
Recently, distributed algorithms for power system state estimation have attracted significant attention. Along with such advantages as decomposition, parallelization of the original problem and absence of a central computation unit,…