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The stochastic interpolant framework offers a powerful approach for constructing generative models based on ordinary differential equations (ODEs) or stochastic differential equations (SDEs) to transform arbitrary data distributions.…

Plastic scintillation detectors are increasingly used to measure dose distributions in the context of radiotherapy treatments. Their water-equivalence, real-time response and high spatial resolution distinguish them from traditional…

Broadband radio waves emitted from pulsars are distorted and delayed as they propagate toward the Earth due to interactions with the free electrons that compose the interstellar medium, with lower radio frequencies being more impacted than…

We describe a massively parallel implementation of the recently developed discontinuous Galerkin density functional theory (DGDFT) [J. Comput. Phys. 2012, 231, 2140] method, for efficient large-scale Kohn-Sham DFT based electronic structure…

As the second component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for extended…

We investigate the scattering and absorption of light by random ballistic aggregates of spherical monomers. We present a general measure for the porosity of an irregular particle. Three different classes of ballistic aggregates are…

We propose a versatile software package in the form of a Python extension, named CDEF (Computing Debye's scattering formula for Extraordinary Formfactors), to approximately calculate scattering profiles of arbitrarily shaped nanoparticles…

We have developed a nonlinear differential effective dipole approximation (NDEDA), in an attempt to investigate the effective linear and third-order nonlinear susceptibility of composite media in which graded spherical inclusions with weak…

Multipole expansion methods have been primarily used for analyzing the electromagnetic scattering from non-magnetic isotropic dielectric scatterers, and studies about the scattering from magnetic objects seem to be lacking. In this work, we…

We present an open-source program free to download for academic use with full user-friendly graphical interface for performing flexible and robust background subtraction and dipole fitting on magnetization data. For magnetic samples with…

Data assimilation (DA) improves prediction of chaotic systems by combining model forecasts with sparse, noisy observations. Many DA methods are inherently probabilistic, but accurate probabilistic DA is often computationally expensive…

The DXRD program suite consisting of a series of dynamical-theory programs is introduced for computing dynamical X-ray diffraction from single crystals. Its interactive graphic user interfaces (GUIs) allow general users to make complicated…

We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…

We develop a new, efficient, and accurate method to simulate frequency-domain borehole electromagnetic (EM) measurements acquired in the presence of three-dimensional (3D) variations of the anisotropic subsurface conductivity. The method is…

We use microscopic 9Be wave functions defined in a alpha+alpha+n multicluster model to compute 9Be+target scattering cross sections. The parameter sets describing 9Be are generated in the spirit of the Stochastic Variational Method (SVM),…

This paper is concerned with uniqueness, phase retrieval and shape reconstruction methods for solving inverse electromagnetic source scattering problems with multi-frequency sparse phased or phaseless far field data. With the phased data,…

Given the widespread use of density functional theory (DFT), there is an increasing need for the ability to model large systems (beyond 1,000 atoms). We present a brief overview of the large-scale DFT code Conquest, which is capable of…

A more accurate, stable, finite-difference time-domain (FDTD) algorithm is developed for simulating Maxwell's equations with isotropic or anisotropic dielectric materials. This algorithm is in many cases more accurate than previous…

An occulter is a large diffracting screen which may be flown in conjunction with a telescope to image extrasolar planets. The edge is shaped to minimize the diffracted light in a region beyond the occulter, and a telescope may be placed in…

Due to its remarkable energy compaction properties, the discrete cosine transform (DCT) is employed in a multitude of compression standards, such as JPEG and H.265/HEVC. Several low-complexity integer approximations for the DCT have been…