Related papers: Full Potential Multiple Scattering for X-ray Spect…
We establish a rigorous density functional theory (DFT) framework for core-level X-ray absorption spectroscopy (XAS) by formulating a constrained search for core-excited states based on the Gunnarsson-Lundqvist theorem. Within this…
The real-space multiple-scattering (RSMS) approach is applied to model non-resonant inelastic scattering from deep core electron levels over a broad energy spectrum. This approach is applicable to aperiodic or periodic systems alike and…
The multiple scattering theory (MST) is one of the most widely used methods in electronic structure calculations. It features a perfect separation between the atomic configurations and site potentials, and hence provides an efficient way to…
Deformable fractured porous media appear in many geoscience applications. While the extended finite element (XFEM) has been successfully developed within the computational mechanics community for accurate modeling of the deformation, its…
A Multiple Target, Multiple Type Filtering (MTMTF) algorithm is developed using Random Finite Set (RFS) theory. First, we extend the standard Probability Hypothesis Density (PHD) filter for multiple types of targets, each with distinct…
A new method for directly sampling the neutron resonance upscattering effect is presented. Alternatives have relied on inefficient rejection sampling techniques or large tabular storage of relative velocities. None of these approaches,…
The recent development of energy-resolving scintillation crystals opens the way to new types of applications and imaging systems. In the context of computerized tomography (CT), it enables to use the energy as a dimension of information…
The oversampling multiscale finite element method (MsFEM) is one of the most popular methods for simulating composite materials and flows in porous media which may have many scales. But the method may be inapplicable or inefficient in some…
We give fully polynomial-time approximation schemes (FPTAS) for the partition function of ferromagnetic 2-spin systems in certain parameter regimes. The threshold we obtain is almost tight up to an integrality gap. Our technique is based on…
A novel integral representation for scattering phase shifts is obtained based on a modified version of Milne's phase-amplitude approach [W.E. Milne, Phys. Rev. $\mathbf{35}$, 863 (1930)]. We replace Milne's nonlinear differential equation…
Temporal focusing two-photon microscopy enables high resolution imaging of fine structures in vivo over a large volume. A limitation of temporal focusing is that signal-to-background ratio and resolution degrade rapidly with increasing…
We propose a multi-shell sampling grid and develop corresponding transforms for the accurate reconstruction of the diffusion signal in diffusion MRI by expansion in the spherical polar Fourier (SPF) basis. The transform is exact in the…
We introduce a formalism to solve the problem of photon scattering from a system of multi-level quantum emitters. Our approach provides a direct solution of the scattering dynamics. As such the formalism gives the scattered fields…
A simple stochastic formulation of the multiple scattering representation solution of the classical linear incoherent trapping problem is presented for a broad audience. A clear connection with the alternative Holstein's solution ansatz is…
We report a new theoretical method for X-ray absorption spectroscopy (XAS) in condensed matter which is based on the multi-channel multiple scattering theory of Natoli et al. and the eigen-channel R-matrix method. While the highly flexible…
This work presents an abstract framework for the design, implementation, and analysis of the multiscale spectral generalized finite element method (MS-GFEM), a particular numerical multiscale method originally proposed in [I. Babuska and R.…
A variety of problems in device and materials design require the rapid forward modeling of Maxwell's equations in complex micro-structured materials. By combining high-order accurate integral equation methods with classical multiple…
We demonstrate a strategy for simulating wide-range X-ray scattering patterns, which spans the small- and wide scattering angles as well as the scattering angles typically used for Pair Distribution Function (PDF) analysis. Such simulated…
Given a graphical model (GM), computing its partition function is the most essential inference task, but it is computationally intractable in general. To address the issue, iterative approximation algorithms exploring certain local…
The demand for inverse design is increasing as the ability to fabricate sub-10 nm features expands the design space by orders of magnitude. Efficient inverse design benefits from differentiable models of light-structure interaction. While…