Related papers: A fast simple algorithm for computing the potentia…
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…
Suggested a non-linear, non-gauge invariant model of Maxwell equations, based on the Kaluza-Klein theory. The spectrum of elementary charges and masses is obtained.
In calculating integral or discrete transforms, use has been made of fast algorithms for multiplying vectors by matrices whose elements are specified as values of special (Chebyshev, Legendre, Laguerre, etc.) functions. The currently…
We have implemented a three-dimensional finite element approach, based on tricubic polynomials in spherical coordinates, which solves the Schrodinger equation for scattering of a low energy electron from a molecule, approximating the…
Closed-form, analytical approximations for electrostatic properties of molecules are of unique value, as these can provide computational speed, versatility, and physical insight. Here, we derive a simple, closed-form formula for the…
Multiple algorithms are known for efficiently calculating the prefix probability of a string under a probabilistic context-free grammar (PCFG). Good algorithms for the problem have a runtime cubic in the length of the input string. However,…
We present a simple and fast algorithm for computing the $N$-th term of a given linearly recurrent sequence. Our new algorithm uses $O(\mathsf{M}(d) \log N)$ arithmetic operations, where $d$ is the order of the recurrence, and…
Various applications involve assigning discrete label values to a collection of objects based on some pairwise noisy data. Due to the discrete---and hence nonconvex---structure of the problem, computing the optimal assignment (e.g.~maximum…
In this paper, we propose a robust optimization model that addresses both the cost-efficiency and fast charging requirements for electric vehicles (EVs) at charging stations. By combining elements from traditional cost-minimization models…
This short paper presents a Wirtinger's-Calculus based load-flow methodology for power distribution grids. This approach allows to obtain an algorithm which works directly on the complex domain maintaining some useful symmetries and a…
We derive analytic solutions for the potential and field in a one-dimensional system of masses or charges with periodic boundary conditions, in other words Ewald sums for one dimension. We also provide a set of tools for exploring the…
Recently, the butterfly approximation scheme and hierarchical approximations have been proposed for the efficient computation of integral transforms with oscillatory and with asymptotically smooth kernels. Combining both approaches, we…
We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…
The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…
We present an algorithm for efficient computation of the constant term of a power of a multivariate Laurent polynomial. The algorithm is based on univariate interpolation, does not require the storage of intermediate data and can be easily…
We study the problem of computing constrained shortest paths for battery electric vehicles. Since battery capacities are limited, fastest routes are often infeasible. Instead, users are interested in fast routes on which the energy…
Considering interatomic potential $U({\mathbf q})$ where ${\mathbf q} = [{\mathbf q}_1, {\mathbf q}_2, \dots, {\mathbf q}_N] \in {\mathbb R}^{3N}$ is a vector describing positions, $\mathbf{q}_i \in {\mathbb R}^3$, it is shown that $U$ can…
In this paper we present a simple model for computing single electron exchange between light nuclei. The electronic capture is pictured as a tunnelling process in a model potential. This allows to analytically compute the transmission…
Machine learning potentials (MLP) allow to perform large-scale molecular dynamics simulations with about the same accuracy as electronic structure calculations provided that the selected model is able to capture the relevant physics of the…
We consider basic and easily extendible transport formulations for lithium batteries consisting of an anode (Li-foil), a separator (polymer electrolyte), and a composite cathode (composed of electrolyte and intercalation particles). Our…