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We show how the path-integral formulation of quantum statistical mechanics can be used to construct practical {\em ab initio} techniques for computing the chemical potential of molecules adsorbed on surfaces, with full inclusion of quantum…
Quantum scattering at zero energy is studied with stochastic methods. A path integral representation for the scattering cross section is developed. It is demonstrated that Monte Carlo simulation can be used to compare effective potentials…
In experimental physics, it is essential to understand electromagnetic (EM) wave scattering across EM spectrum, from radio waves to X-rays, and is pivotal in driving photonics innovations. Recent advancements have uncovered phenomena like…
We present a new algorithm to rapidly and optimally compute power spectra. This new algorithm is based on a generalization of iterative multigrid, and has computational cost O(N log N), compared to the standard brute force approach which…
A conversion matrix approach to solving network problems involving time-varying circuit components is applied to the method of moments for electromagnetic scattering analysis. Detailed formulations of this technique's application to the…
We compute the scattering data of the Benjamin-Ono equation for arbitrary rational initial conditions with simple poles. Specifically, we obtain explicit formulas for the Jost solutions and eigenfunctions of the associated spectral problem,…
This paper recalls the principles of the finite-element methods (FEM) theory and declines its application in the EN-MME group, for the numerical modelling and study of particle accelerator equipment. Implicit and explicit methods are…
Existing beam contact formulations can be categorized in point contact models that consider a discrete contact force at the closest point of the beams, and line contact models that assume distributed contact forces. In this work, it will be…
Scattering power (T = d/dx of mean squared multiple Coulomb scattering (MCS) angle), as used in proton transport theory, is properly viewed as a differential description of the Gaussian approximation to MCS theories such as Moliere's. That…
The optical theorem is an important tool for scattering analysis in acoustics, electromagnetism, and quantum mechanics. We derive an extended version of the optical theorem for the scattering of elastic waves by a spherical inclusion…
In this note is presented a method, given nodal values on multidimensional nonconforming spectral elements, for calculating global Fourier-series coefficients. This method is ``exact'' in that given the approximation inherent in the…
We present application examples of a graphical method for the efficient construction of potential matrix elements in quantum physics or quantum chemistry. The simplicity and power of this method are illustrated through several examples. In…
We present a computer program for the simulation of Mie scattering in case of arbitrarily large size parameters. The elements of the scattering matrix, efficiency factors as well as the corresponding cross sections, the albedo and the…
The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…
Advanced computational tools that describe the interaction of electrons with structured nanophotonic materials are crucial for theoretical predictions, specific design tasks, and the interpretation of experimental results. These tools open…
We discuss in detail the Bloch waves method for calculation of energy and orientation dependent scattering cross-section for inelastic scattering of electrons on crystals. Convergence properties are investigated and a new algorithm with…
We calculate all the elements of the Mueller matrix, which contains all the polarization properties of light scattered from a two-dimensional randomly rough lossy metal surface. The calculations are carried out for arbitrary angles of…
The accurate electromagnetic modeling of both low- and high-frequency physics is crucial in the signal and power integrity analysis of electrical interconnects. The boundary element method (BEM) is appealing for lossy conductor modeling…
Surface tension has a strong influence on the shape of fluid interfaces. We propose a method to calculate the corresponding forces efficiently. In contrast to several previous approaches, we discriminate to this end between surface and…
Scattering of electromagnetic (EM) waves by one and many small ($ka\ll 1$) impedance particles $D_m$ of an arbitrary shape, embedded in a homogeneous medium, is studied. Analytic formula for the field, scattered by one particle, is derived.…