Related papers: Optimal Binning for Small-Angle Neutron Scattering…
A theoretical framework is developed to estimate the optimal binning of X-ray spectra. We derived expressions for the optimal bin size for model spectra as well as for observed data using different levels of sophistication. It is shown that…
The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) operates in the event mode. Time-of-flight (TOF) information about each detected neutron is collected separately and saved as a descriptive entry in a database…
The problem of sampling a discrete-time sequence of spatially bandlimited fields with a bounded dynamic range, in a distributed, communication-constrained, processing environment is addressed. A central unit, having access to the data…
Spatial and temporal delays in a wireless multi-antenna system, paired with an orthogonal frequency division multiplexing (OFDM) waveform, can be utilized to estimate the Angle of Arrival (AoA) and Time of Arrival (ToA) of scatterers in the…
In this paper we present a theoretical analysis of the deterministic on-line {\em Sum of Squares} algorithm ($SS$) for bin packing introduced and studied experimentally in \cite{CJK99}, along with several new variants. $SS$ is applicable to…
A heuristic procedure based on novel recursive formulation of sinusoid (RFS) and on regression with predictive least-squares (LS) enables to decompose both uniformly and nonuniformly sampled 1-d signals into a sparse set of sinusoids (SSS).…
Delocalization errors, such as charge-transfer and some self-interaction errors, plague computationally-efficient and otherwise-accurate density functional approximations (DFAs). Evaluating a semi-local DFA non-self-consistently on the…
We present a numerical approach to the solution of elastic phonon scattering problems based on a frequency domain decomposition of the atomistic equations of motion and the use of perfectly matched layer or PML boundaries. Unlike MD…
Gravitational waves emitted by binary neutron stars (BNS) provide information about the internal structure of neutron stars (NSs), helping to verify dense matter equations of state. We investigate how the measurement accuracy of NS's tidal…
In a recent paper we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions is optimized in situ and therefore adapted to the chemical…
We propose to adapt the confined pseudo-atomic orbitals underpinning the precalculated Slater-Koster (SK) interaction tables in Density Functional Tight Binding (DFTB) to local atomic environments. We demonstrate significant improvement in…
We present a Gaussian-basis implementation of orbital-free density-functional theory (OF-DFT) in which the trust-region image method (TRIM) is used for optimization. This second-order optimization scheme has been constructed to provide…
As is common with the collection of astronomical data, signals are frequently dominated by noise. However, when performing FTs of light curves, re-binning data can improve the signal-to-noise ratio (SNR) at lower frequencies. Using data…
Classical high-order weighted essentially non-oscillatory (WENO) schemes are designed to achieve optimal convergence order for smooth solutions and to maintain non-oscillatory behaviors for discontinuities. However, their spectral…
The high-density behavior of nuclear matter is analyzed within a relativistic mean-field description with non-linear meson interactions. To assess the model parameters and their output, a Bayesian inference technique is used. The Bayesian…
Data analysis in science, e.g., high-energy particle physics, is often subject to an intractable likelihood if the observables and observations span a high-dimensional input space. Typically the problem is solved by reducing the…
This paper introduces a new conceptual framework that recasts surface roughness effects as a "ray deflection function" (RDF) which can be statistically represented through a modified Zernike-Fourier hybrid approach that directly connects…
Photometric redshift uncertainties are a major source of systematic error for ongoing and future photometric surveys. We study different sources of redshift error caused by choosing a suboptimal redshift histogram bin width and propose…
Linear-scaling techniques for Kohn-Sham density functional theory (KS-DFT) are essential to describe the ground state properties of extended systems. Still, these techniques often rely on the locality of the density matrix or on accurate…
The three-dimensional picture of quarks and gluons in the nucleon is set to be revealed through deeply virtual Compton scattering (DVCS). With the absence of a free neutron target, the deuterium target represents the simplest nucleus to be…