Related papers: A Cubed Sphere Fast Multipole Method
A dynamical effective medium theory is presented for quantum spins and higher multipoles such as quadrupole moments. The theory is a generalization of the spherical model approximation for the Ising model, and is accurate up to O(1/z_n)…
Panel-based, kernel-split quadrature is currently one of the most efficient methods available for accurate evaluation of singular and nearly singular layer potentials in two dimensions. However, it can fail completely for the layer…
We present a new approach to three-dimensional electromagnetic scattering problems via fast isogeometric boundary element methods. Starting with an investigation of the theoretical setting around the electric field integral equation within…
We present a generalization of the coupled dipole method to the scattering of light by arbitrary periodic structures. This new formulation of the coupled dipole method relies on the same direct-space discretization scheme that is widely…
A fast algorithm is developed for the directional correlation of scalar band-limited signals and band-limited steerable filters on the sphere. The asymptotic complexity associated to it through simple quadrature is of order O(L^5), where 2L…
The recently developed iterated stockholder atoms (ISA) approach of Lillestolen and Wheatley (Chem. Commun. {\bf 2008}, 5909 (2008)) offers a powerful method for defining atoms in a molecule. However, the real-space algorithm is known to…
This work develops a nonlinear multigrid method for diffusion problems discretized by cell-centered finite volume methods on general unstructured grids. The multigrid hierarchy is constructed algebraically using aggregation of degrees of…
We developed a fast numerical algorithm for solving the three dimensional vectorial Helmholtz equation that arises in electromagnetic scattering problems. The algorithm is based on electric field integral equations and is essentially a…
The Fast Multipole Method (FMM) is well known to possess a bottleneck arising from decreasing workload on higher levels of the FMM tree [Greengard and Gropp, Comp. Math. Appl., 20(7), 1990]. We show that this potential bottleneck can be…
A method for 3D interpolation between hard spheres is described. The function to be interpolated could be the charge density between atoms in condensed matter. Its electrostatic potential is found analytically, and so are various integrals.…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
Many different simulation methods for Stokes flow problems involve a common computationally intense task -- the summation of a kernel function over $O(N^2)$ pairs of points. One popular technique is the Kernel Independent Fast Multipole…
We propose a new theoretical method for the calculation of the interaction energy between macromolecular systems at large distances. The method provides a linear scaling of the computing time with the system size and is considered as an…
Kernel quadratures and other kernel-based approximation methods typically suffer from prohibitive cubic time and quadratic space complexity in the number of function evaluations. The problem arises because a system of linear equations needs…
Coulomb interactions of point charges can be calculated in $\mathcal{O}$(N) computation using the fast multipole method and direct calculations between charges nearby. It reduces computational cost dramatically, however, because of its…
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…
Multiscale methods for second order elliptic equations based on non-overlapping domain decomposition schemes have great potential to take advantage of multi-core, state-of-the-art parallel computers. These methods typically involve solving…
In the kernel density estimation (KDE) problem one is given a kernel $K(x, y)$ and a dataset $P$ of points in a Euclidean space, and must prepare a data structure that can quickly answer density queries: given a point $q$, output a…
We simulate model systems of charged spherical particles in their counterion solution and measure the thermodynamic pressure and the pair distribution function from which we derive effective potentials of mean force. For a system with only…
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…