Related papers: Cu/Ag EAM Potential Optimized for Heteroepitaxial …
The most critical limitation to the wide-scale use of classical molecular dynamics for alloy design is the availability of suitable interatomic potentials. In this work, we demonstrate a simple procedure to generate a library of accurate…
In this paper, we consider a wireless powered mobile edge computing (MEC) network, where the distributed energy-harvesting wireless devices (WDs) are powered by means of radio frequency (RF) wireless power transfer (WPT). In particular, the…
(abridged) We develop an algorithm for estimating parameters of a distribution sampled with contamination, employing a statistical technique known as ``expectation maximization'' (EM). Given models for both member and contaminant…
A grand challenge in fundamental physics and practical applications is overcoming wave diffusion to deposit energy into a target region deep inside a diffusive system. While it is known that coherently controlling the incident wavefront…
The boundary element method (BEM) enables solving three-dimensional electromagnetic problems using a two-dimensional surface mesh, making it appealing for applications ranging from electrical interconnect analysis to the design of…
Beamspace processing is an emerging technique to reduce baseband complexity in massive multiuser (MU) multiple-input multiple-output (MIMO) communication systems operating at millimeter-wave (mmWave) and terahertz frequencies. The high…
We examine the performance of the density matrix embedding theory (DMET) recently proposed in [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)]. The core of this method is to find a proper one-body potential that generates…
Integrating mobile edge computing (MEC) and wireless power transfer (WPT) has been regarded as a promising technique to improve computation capabilities for self-sustainable Internet of Things (IoT) devices. This paper investigates a…
We develop a combined theoretical and experimental method for estimating the amount of heating that occurs in metallic nanoparticles that are being imaged in an electron microscope. We model the thermal transport between the nanoparticle…
Cell-free massive MIMO (CF-mMIMO) is expected to provide reliable wireless services for a large number of user equipments (UEs) using access points (APs) distributed across a wide area. When the UEs are battery-powered, uplink energy…
Processing-in-memory (PIM), as a novel computing paradigm, provides significant performance benefits from the aspect of effective data movement reduction. SRAM-based PIM has been demonstrated as one of the most promising candidates due to…
The reconstruction of the exchange-correlation potential from accurate ab initio electron densities can provide insights into the limitations of the currently available approximate functionals and provide guidance for devising improved…
A means to take advantage of molecular similarity to lower the computational cost of electronic structure theory is proposed, in which parameters are embedded into a low-cost, low-level (LL) ab initio theory and adjusted to obtain agreement…
We derive an analytic connection between the screened self-consistent effective potential from density functional theory (DFT) and atomic effective pseudopotentials (AEPs). The motivation to derive AEPs is to address structures with…
By carefully choosing parameters and including more semi-core orbitals as valence electrons, we have constructed a high quality projected augmented wave (PAW) dataset that yields results comparable to existing full-potential linearized…
Numerical homogenization for mechanical multiscale modeling by means of the finite element method (FEM) is an elegant way of obtaining structure-property relations, if the behavior of the constituents of the lower scale is well understood.…
Trapped-ion systems are a promising route toward the realization of both near-term and universal quantum computers. However, one of the pressing challenges is improving the fidelity of two-qubit entangling gates. These operations are often…
In this paper we present new parameters of the TB-SMA interatomic potentials for the Pt/Cu(111) surface alloy. The parameters are fitted using both the experimental and {\it ab initio} data. The potentials reproduce not only the bulk…
In this paper, we propose a novel algorithm to optimize the energy-efficiency (EE) of orthogonal frequency division multiplexing-based cognitive radio systems under channel uncertainties. We formulate an optimization problem that guarantees…
New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine…