Related papers: P3M algorithm for dipolar interactions
An efficient sampling method, the pmmLang+RBM, is proposed to compute the quantum thermal average in the interacting quantum particle system. Benefiting from the random batch method (RBM), the pmmLang+RBM reduces the complexity due to the…
Microscopic processes on surfaces such as adsorption, desorption, diffusion and reaction of interacting particles can be simulated using kinetic Monte Carlo (kMC) algorithms. Even though kMC methods are accurate, they are computationally…
Colloids can acquire a dipolar interaction in the presence of an external electric field. At high field strength, the particles form strings in the field direction. However at weaker field strength, competition with isotropic interactions…
The Random Batch Method (RBM) is an effective technique to reduce the computational complexity when solving certain stochastic differential problems (SDEs) involving interacting particles. It can transform the computational complexity from…
A quasi-relativistic two-component approach for an efficient calculation of $\mathcal{P,T}$-odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex…
Boundary integral equations are an efficient and accurate tool for the numerical solution of elliptic boundary value problems. The solution is expressed as a layer potential; however, the error in its evaluation grows large near the…
The evaluation of the interaction between objects arranged on a lattice requires the computation of lattice sums. A scenario frequently encountered are systems governed by the Helmholtz equation in the context of electromagnetic scattering…
This paper tests a dielectric model for variation of hydration free energy with geometry of complex solutes in water. It works out some basic aspects of the theory of boundary integral methods for these problems. One aspect of the…
We present a detailed analysis of the role of the magnetic dipole-dipole interaction in cold and ultracold collisions. We focus on collisions between magnetically trapped NH molecules, but the theory is general for any two paramagnetic…
Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implementations using a double loop over particle pairs have…
The recurrence rebuild and retrieval method (R3M) is proposed in this paper to accelerate the electromagnetic (EM) validations of large-scale digital coding metasurfaces (DCMs). R3M aims to accelerate the EM validations of DCMs with varied…
We derive a numerical method, based on operator splitting, to abstract parabolic semilinear boundary coupled systems. The method decouples the linear components which describe the coupling and the dynamics in the bulk and on the surface,…
This paper concerns the use of the expectation-maximisation (EM) algorithm for inference in partially observed diffusion processes. In this context, a well known problem is that all except a few diffusion processes lack closed-form…
Some methods for the convergence acceleration of the M{\o}ller-Plesset perturbation series for the correlation energy are discussed. The order-by-order summation is less effective than the Feenberg series. The latter is obtained by…
The range of applications of traditional optimization methods are limited by the features of the object variables, and of both the objective and the constraint functions. In contrast, population-based algorithms whose optimization…
In this paper we consider systems of partial (multidimensional) linear difference equations. Specifically, such systems arise in scientific computing under discretization of linear partial differential equations and in computational high…
We formulate a general and exact method of partial wave decomposition (PWD) of any nucleon-nucleon (NN) potential and any three-nucleon (3N) force. The approach allows one to efficiently use symbolic algebra software to generate the…
High-dimensional fractional reaction-diffusion equations have numerous applications in the fields of biology, chemistry, and physics, and exhibit a range of rich phenomena. While classical algorithms have an exponential complexity in the…
The plane wave method is most widely used for solving the Kohn-Sham equations in first-principles materials science computations. In this procedure, the three-dimensional (3-dim) trial wave functions' fast Fourier transform (FFT) is a…
We present faster high-accuracy algorithms for computing $\ell_p$-norm minimizing flows. On a graph with $m$ edges, our algorithm can compute a $(1+1/\text{poly}(m))$-approximate unweighted $\ell_p$-norm minimizing flow with…