Related papers: Efficient Computation of Power, Force, and Torque …
Studying chemical reactions, particularly in the gas phase, relies heavily on computing scattering matrix elements. These elements are essential for characterizing molecular reactions and accurately determining reaction probabilities.…
An accurate and efficient numerical simulation approach to electromagnetic wave scattering from two-dimensional, randomly rough, penetrable surfaces is presented. The use of the M\"uller equations and an impedance boundary condition for a…
The transport of charged particles or photons in a scattering medium can be modelled with a Boltzmann equation. The mathematical treatment for scattering in such scenarios is often simplified if evaluated in a frame where the scattering…
We propose an approach for calculating one-loop effective actions and vacuum energies in quantum field theory. Spectral functions are functions defined by the eigenvalues of an operator. One-loop effective actions and vacuum energies in…
This work studies time-dependent electromagnetic scattering from obstacles whose interaction with the wave is fully determined by a nonlinear boundary condition. In particular, the boundary condition studied in this work enforces a power…
Many optical measurement techniques, such as light scattering from wavelength-scale particles or detecting motion from a surface with an optical lever, encode information in a complex radiation pattern. Extracting all available information…
Quantifying the effects on electromagnetic waves scattered by objects of uncertain shape is key for robust design, particularly in high precision applications. Assuming small random perturbations departing from a nominal domain, the…
Scattering by an isolated defect embedded in a dielectric medium of two dimensional periodicity is of interest in many sub-fields of electrodynamics. Present approaches to compute this scattering rely either on the Born approximation and…
In order to find the equilibrium geometries of molecules and solids and to perform ab initio molecular dynamics, it is necessary to calculate the forces on the nuclei. We present a correlated sampling method to efficiently calculate…
We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…
Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These…
In this paper, the translational addition theorem for spherical functions is employed to exactly calculate the acoustic radiation force produced by an arbitrary shaped beam on a sphere suspended in an inviscid fluid. The radiation force is…
Understanding the scattering properties of various media is of critical importance in many applications, from secure, high-bandwidth communications to extracting information about biological and mineral particles dissolved in sea water. In…
The paper is concerned with the development of efficient and accurate solution procedures for the isogeometric boundary element method (BEM) when applied to problems that contain inclusions that have elastic properties different to the…
This paper presents a boundary element method (BEM) for computing the energy transmittance of a singly-periodic grating in 2D for a wide frequency band, which is of engineering interest in various fields with possible applications to…
In many applications, such as plasma edge simulation of a nuclear fusion reactor, a coupled PDE/kinetic description is required, which is usually solved with a coupled finite-volume/Monte-Carlo method. Different procedures have been…
A novel multi-scale finite element formulation for contact mechanics between nominally smooth but microscopically rough surfaces is herein proposed. The approach integrates the interface finite element method (FEM) for modelling interface…
It is shown that the atom-molecule collision problem in the presence of an external electric field can be solved using the total angular momentum representation in the body-fixed coordinated frame, leading to a computationally efficient…
We give a comprehensive presentation of methods for calculating the Casimir force to arbitrary accuracy, for any number of objects, arbitrary shapes, susceptibility functions, and separations. The technique is applicable to objects immersed…
Sound-soft fractal screens can scatter acoustic waves even when they have zero surface measure. To solve such scattering problems we make what appears to be the first application of the boundary element method (BEM) where each BEM basis…