Related papers: Fast calculation of the electrostatic potential in…
Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space…
Periodic configurations of electrodes, in particular of microelectrodes, have been of interest since the advent of microfabrication. In this report, theory which is common to any periodic cell (or any cell that can be extended periodically)…
The refraction properties of phononic crystals are revealed by examining the anti-plane shear waves in doubly periodic elastic composites with unit cells containing rectangular and/or elliptical inclusions. The band-structure, group…
We present an efficient algorithm for the all-electron periodic Coulomb matrix based on the Ewald summation combined with the Fourier-transformed Coulomb method. The short-range contributions involving compact densities are evaluated in…
The efficient detection of light from trapped ions in free space is paramount for most of their applications. We propose a scheme to enhance the photon collection from linear ion strings. It employs the constructive interference of light…
We propose a novel direct sampling method (DSM) for the effective and stable inversion of the Radon transform. The DSM is based on a generalization of the important almost orthogonality property in classical DSMs to fractional order Sobolev…
We present a simulation method to study electrolyte solutions in a dielectric slab geometry using a modified 3D Ewald summation. The method is fast and easy to implement, allowing us to rapidly resum an infinite series of image charges. In…
An exact method for direct calculation of the Jost function and Jost solutions for a repulsive singular potential is presented. Within this method the Schrodinger equation is replaced by an equivalent system of linear first-order…
We present analytic self-similar solutions for the one, two and three dimensional Madelung hydrodynamical equation for a free particle. There is a direct connection between the zeros of the Madelung fluid density and the magnitude of the…
We present a thermal velocity sampling method for calculating Doppler-broadened atomic spectra, which more efficiently reaches a smooth limit than regular velocity weighted sampling. The method uses equal-population sampling of the 1-D…
Gradients have been exploited in proposal distributions to accelerate the convergence of Markov chain Monte Carlo algorithms on discrete distributions. However, these methods require a natural differentiable extension of the target discrete…
This article is written with the hope to draw attention to a method that uses integral transforms to find exact values for a large class of convergent series (and, in particular, series of rational terms). We apply the method to some series…
Steady-state pair correlations between inelastic granular beads in a vertically shaken, quasi two-dimensional cell can be mapped onto the particle correlations in a truly two-dimensional reference fluid in thermodynamic equilibrium. Using…
We calculate the electrostatic potential of a periodic lattice of arbitrary extended charges by using the Cartesian multipole formalism. This method allows the separation of the long-range potential from the contact potential (potential on…
We describe new exact results for a model of ionization of a bound state, induced by an oscillating potential. In particular we have obtained exact expressions, in the form of readily computable rapidly convergent sums, for the energy…
The fixed-nuclei full dimensional time-dependent Schr \"odinger equation is directly solved for H$_2^+$ in the linearly polarized laser field of $I \sim 1.0 \times 10^{14}$W cm$^{-2}$ and $\lambda \sim 1064 $nm Instantaneous ionization rate…
We develop a fast divided-and-conquer indirect collocation method for the homogeneous Dirichlet boundary value problem of variable-order space-fractional diffusion equations. Due to the impact of the space-dependent variable order, the…
This paper deals with speeding up the convergence of a class of two-step iterative methods for solving linear systems of equations. To implement the acceleration technique, the residual norm associated with computed approximations for each…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…
We analyze the convergence of the exponential Lie and exponential Strang splitting applied to inhomogeneous second-order parabolic equations with Dirichlet boundary conditions. A recent result on the smoothing properties of these methods…