Related papers: A fitting algorithm for optimizing ion implantatio…
Deformable elastic bodies in viscous and viscoelastic media constitute a large portion of synthetic and biological complex fluids. We present a parallelized 3D-simulation methodology which fully resolves the momentum balance in the solid…
The possibility to extract properties of an interface between two immiscible liquids, e.g., electrolyte solutions or polyelectrolyte multilayers, by means of impedance spectroscopy is investigated theoretically within a dynamic density…
We introduce an enriched immersed finite element method for addressing interface problems characterized by general non-homogeneous jump conditions. Unlike many existing unfitted mesh methods, our approach incorporates a homogenization…
Coherently coupled pairs or multimers of nitrogen-vacancy defect electron spins in diamond have many promising applications especially in quantum information processing (QIP) but also in nanoscale sensing applications. Scalable registers of…
One of the potential applications of a quantum computer is solving quantum chemical systems. It is known that one of the fastest ways to obtain somewhat accurate solutions classically is to use approximations of density functional theory.…
Purpose: This study proposes a systematic method for determining the optimal x-ray tube settings/energy windows and fluence for minimal noise and maximum CNR in material density images obtained from DECT scans by fixing the subject size and…
To simulate the transient enhanced diffusion near the surface or interface, a set of equations describing the impurity diffusion and quasichemical reactions of dopant atoms and point defects in ion-implanted layers is proposed and analyzed.…
This letter presents an energy- and memory-efficient pattern-matching engine for a network intrusion detection system (NIDS) in the Internet of Things. Tightly coupled architecture and circuit co-designs are proposed to fully exploit the…
Based on an analysis of the short range chemical environment of each atom in a system, standard machine learning based approaches to the construction of interatomic potentials aim at determining directly the central quantity which is the…
Given a partial differential equation (PDE), goal-oriented error estimation allows us to understand how errors in a diagnostic quantity of interest (QoI), or goal, occur and accumulate in a numerical approximation, for example using the…
Defects in crystalline silicon consisting of a silicon self-interstitial atom and one, two, three, or four hydrogen atoms are studied within density-functional theory (DFT). We search for low-energy defects by starting from an ensemble of…
Designing and optimizing ion optical systems is often a complex and difficult task, which requires the use of computational tools to iterate and converge towards the desired characteristics and performances of the system. Very often these…
We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…
The advancement of quantum optical science and technology with solid-state emitters such as nitrogen-vacancy (NV) centers in diamond critically relies on the coherence of the emitters' optical transitions. A widely employed strategy to…
On the proper timescale, amorphous solids can flow. Solid flow can be observed macroscopically in glaciers or lead pipes, but it can also be artificially enhanced by creating defects. Ion Beam Sputtering (IBS) is a technique in which ions…
The effectiveness of deep neural networks (DNN) in vision, speech, and language processing has prompted a tremendous demand for energy-efficient high-performance DNN inference systems. Due to the increasing memory intensity of most DNN…
When solving elliptic partial differential equations in a region containing immersed interfaces (possibly evolving in time), it is often desirable to approximate the problem using an independent background discretisation, not aligned with…
The energy transition, crucial for tackling the climate crisis, demands integrating numerous distributed, renewable energy sources into existing grids. Along with climate change and consumer behavioral changes, this leads to changes and…
We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined for impurities comprising the full unit cell or a supercell…
Optically addressable spin defects in wide-bandage semiconductors as promising systems for quantum information and sensing applications have attracted more and more attention recently. Spin defects in two-dimensional materials are supposed…