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A brief introduction to the projector augmented wave method is given and recent developments are reviewed. The projector augmented wave method is an all-electron method for efficient ab-initio molecular dynamics simulations with the full…
We analyze the inversion of the photo-acoustic imaging modality using electromagnetic plasmonic nano-particles as contrast agents. We prove that the generated pressure, before and after injecting the plasmonic nano-particles, measured at a…
In Yang et al. [Nature 576, 248 (2019)], the authors introduced a general theoretical framework for nanoscale electromagnetism based on Feibelman parameters. Here quantum effects of the optically excited electrons at the interface between…
Accurately estimating the point spread function (PSF) of an optical system requires solving free-space wave propagation, which entails evaluating a diffraction integral. This integral is traditionally computed numerically using Fast Fourier…
As computing resource demands continue to escalate in the face of big data, cloud-connectivity and the internet of things, it has become imperative to develop new low-power, scalable architectures. Neuromorphic photonics, or photonic neural…
A grid-based real-space implementation of the Projector Augmented Wave (PAW) method of P. E. Blochl [Phys. Rev. B 50, 17953 (1994)] for Density Functional Theory (DFT) calculations is presented. The use of uniform 3D real-space grids for…
High-speed signal processing is essential for maximizing data throughput in emerging communication applications, like multiple-input multiple-output (MIMO) systems and radio-frequency (RF) interference cancellation. However, as these…
We combine Newton's variational method with ideas from eigenvector continuation to construct a fast & accurate emulator for two-body scattering observables. The emulator will facilitate the application of rigorous statistical methods for…
This paper presents a point-wise divergence-free projection method for numerical approximations of photonic quasicrystals problems. The original three-dimensional quasiperiodic Maxwell's system is transformed into a periodic one in higher…
In this paper, we investigate Bauer's method for the matrix spectral factorization of an r-channel matrix product filter which is a halfband autocorrelation matrix. We regularize the resulting matrix spectral factors by an averaging…
In this paper we introduce an algebraic recursive multilevel incomplete factorization preconditioner, based on a distributed Schur complement formulation, for solving general linear systems. The novelty of the proposed method is to combine…
Accurate modeling of ultrasound wave propagation is essential for high-fidelity simulation and imaging in ultrasonic testing. A primary challenge lies in characterizing the excitation source, particularly for transducers with large…
In this paper, we introduce and provide a short overview of nonnegative matrix factorization (NMF). Several aspects of NMF are discussed, namely, the application in hyperspectral imaging, geometry and uniqueness of NMF solutions,…
We propose a novel numerical homogenization method based on the edge multiscale approach for solving indefinite time-harmonic Maxwell equations in heterogeneous media with large wavenumber. Numerical methods for these equations in…
The numerical simulation of weakly nonlinear ultrasound is important in treatment planning for focused ultrasound (FUS) therapies. However, the large domain sizes and generation of higher harmonics at the focus make these problems extremely…
Fractional programming (FP) arises in various communications and signal processing problems because several key quantities in the field are fractionally structured, e.g., the Cram\'{e}r-Rao bound, the Fisher information, and the…
Optimizing the shape of nanostructures and nano antennas for specific optical properties has evolved to be a very fruitful activity. With modern fabrication tools a large variety of possibilities is available for shaping both nanoparticles…
Fast Ewald summation efficiently evaluates Coulomb interactions and is widely used in molecular dynamics simulations. It is based on a split into a short-range and a long-range part, where evaluation of the latter is accelerated using the…
Full-waveform inversion (FWI) is an effective method for imaging subsurface properties using sparsely recorded data. It involves solving a wave propagation problem to estimate model parameters that accurately reproduce the data. Recent…
This paper describes a versatile method that accelerates multichannel source separation methods based on full-rank spatial modeling. A popular approach to multichannel source separation is to integrate a spatial model with a source model…