Related papers: Accelerating Optical Absorption Spectra and Excito…
We suggest different simple schemes to efficiently load and evaporate a ''dimple'' crossed dipolar trap. The collisional processes between atoms which are trapped in a reservoir load in a non adiabatic way the dimple. The reservoir trap can…
We develop an open-source python workflow package, $py$GWBSE to perform automated first-principles calculations within the GW-BSE (Bethe-Salpeter) framework. GW-BSE is a many body perturbation theory based approach to explore the…
We study the two-particle approximation of the Ising Field Theory (IFT), formulated in terms of the Bethe-Salpeter (BS) equation. Derived by Fonseca and Zamolodchikov as a systematic realization of the McCoy-Wu approach, this equation…
Semiconductor nanoplatelets possess exceptional optical properties that make them promising candidates for next-generation optoelectronic applications. However, unlike quantum dots where absorption spectroscopy alone can determine both size…
The optical absorption spectrum of the three most stable isomers of the Ag11 system was calculated using the time-dependent density functional theory, with the generalized gradient approximation for the exchange and correlation potential,…
We propose a novel Graph Neural Network-based method for segmentation based on data fusion of multimodal Scanning Electron Microscope (SEM) images. In most cases, Backscattered Electron (BSE) images obtained using SEM do not contain…
Attaining practical Inertial Fusion Energy (IFE) depends on how efficiently one can couple the driver energy to the nuclear fusion fuel for compression and ignition. While the excimer lasers provide an efficient alternative compared to…
The convolution method for the numerical solution of forward-backward stochastic differential equations (FBSDEs), introduced in [21], uses a uniform space grid. In this paper we utilize a tree-like spatial discretization that approximates…
Blind source separation (BSS) methods have been applied to deal with the lack of selectivity of ion-selective electrodes (ISE). In this paper, differently from the standard BSS solutions, which are based on the optimization of a…
In this work we provide a first principles description of the electronic and optical properties of bilayers C$_3$N, with different stacking motifs AB, AB$'$ and AA$'$. Starting from quasi-particle electronic band-structures, we solve the…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
In this paper, a fast synthetic iterative scheme is developed to accelerate convergence for the implicit DOM based on the stationary phonon BTE. The key innovative point of the present scheme is the introduction of the macroscopic synthetic…
We present an automatic, high-order accurate, and adaptive Brillouin zone integration algorithm for the calculation of the optical conductivity with a non-zero but small broadening factor $\eta$, focusing on the case in which a Hamiltonian…
We present an efficient and accurate immersed boundary (IB) finite element (FE) solver for numerically solving incompressible Navier--Stokes equations. Particular emphasis is given to internal flows with complex geometries (blood flow in…
Diffuse optical tomography (DOT) utilises near-infrared light for imaging spatially distributed optical parameters, typically the absorption and scattering coefficients. The image reconstruction problem of DOT is an ill-posed inverse…
The improvement of light absorption in Si/BeSe$_{0.41}$Te$_{0.59}$ heterostructures for solar cell applications is studied theoretically. First, using simple approaches we found that light absorption could be improved in a single…
We propose a compressive spectral collocation method for the numerical approximation of Partial Differential Equations (PDEs). The approach is based on a spectral Sturm-Liouville approximation of the solution and on the collocation of the…
Absorption spectra, exciton energy levels and wave functions for solid Ne and Ar have been calculated from first principles using many-body techniques. Electronic band structures of Ne and Ar were calculated using the GW approximation.…
The Single Particles, Clusters and Biomolecules (SPB) instrument at the European XFEL is located behind the SASE1 undulator, and aims to support imaging and structure determination of biological specimen between about 0.1 micrometer and 1…
Within the framework of many-body perturbation theory based on Green's functions, the $GW$ approximation has emerged as a pivotal method for computing quasiparticle energies and excitation spectra. However, its high computational cost and…