Related papers: Effective core potentials as a pathway to self-int…
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R.…
The close integration of increasing operating units into an integrated energy system (IES) results in complex interconnections between these units. The strong dynamic interactions create barriers to designing a successful distributed…
Brain-Computer Interfaces (BCIs) implement a direct communication pathway between the brain of an user and an external device, as a computer or a machine in general. One of the most used brain responses to implement non-invasive BCIs is the…
Electronic stopping power in the \(\mathrm{keV/\AA}\) range is accurately calculated from first principles. The energy loss to electrons in self-irradiated nickel, a paradigmatic transition metal, using real-time time-dependent density…
Ensemble density-functional theory (eDFT) suffers from the so-called "ghost interaction" error when approximate exchange-correlation functionals are used. In this work, we present a rigorous ghost interaction correction (GIC) scheme in the…
Silicon Photomultipliers (SiPMs) are photon-counting detectors with great potential to improve the sensitivity of optical receivers. Recent studies of SiPMs in communication focus on the speed rather than the power consumption of the…
The precise incorporation of a phosphorus atom into a silicon surface is essential for the fabrication of nanoelectronic devices in which the active area is formed from single impurities. The most accurate approach employs scanning…
The detection of electron spins associated with single defects in solids is a critical operation for a range of quantum information and measurement applications currently under development. To date, it has only been accomplished for two…
A computationally inexpensive k.p-based interpolation scheme is developed that can extend the eigenvalues and momentum matrix elements of a sparsely sampled k-point grid into a densely sampled one. Dense sampling, often required to…
State-of-the-art techniques for addressing scaling-related main memory errors identify and repair bits that are at risk of error from within the memory controller. Unfortunately, modern main memory chips internally use on-die error…
The nuclear symmetry energy $E_{sym}(\rho)$ and its density slope $L(\rho)$ can be decomposed analytically in terms of the single-nucleon potential in isospin asymmetric nuclear matter. Using three popular nuclear effective interaction…
A PET scanner based on silicon photomultipliers (SiPMs) has been widely used as an advanced nuclear medicine imaging technique that yields quantitative images of regional in vivo biology and biochemistry. The compact size of the SiPM allows…
This article presents a systematic theoretical enquiry concerning the conceptual foundations and the nature of phonon-mediated electron-electron interactions. Starting from the fundamental many-body Hamiltonian, we propose a simple scheme…
Error-Correcting Output Codes (ECOCs) offer a principled approach for combining simple binary classifiers into multiclass classifiers. In this paper, we investigate the problem of designing optimal ECOCs to achieve both nominal and…
Fluidic devices exhibiting ion current rectification (ICR), or ionic diodes, are of broad interest for applications including desalination, energy harvesting, and sensing, amongst others. For such applications a large conductance is…
We investigate novel strategies to extend the sensitivity of dark matter direct detection experiments to energy deposits well below the thresholds of conventional detectors. In liquid-argon time-projection chambers equipped with silicon…
Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes…
Machine learning interatomic potentials (MLIPs) offer near-ab initio accuracy with the efficiency of classical force fields, making them attractive for modeling electrolytes. Collecting a diverse training set is essential for their accuracy…
We present a native realization of iSWAP and parameterized exchange gates for neutral atom quantum processing units. Our approach leverages strong dipole-dipole interactions between two dipole-coupled Rydberg states, and employs optimal…
Correlated electron systems may give rise to multiple effective interactions whose combined impact on quasiparticle properties can be difficult to disentangle. We introduce an unambiguous decomposition of the electronic self-energy which…