Related papers: Efficient periodic band diagram computation using …
We discuss an efficiency of various band structure algorithms in determining the Fermi surface (FS) of the paramagnetic ErGa3. The linear muffin-tin orbital (LMTO) in the atomic sphere approximation (ASA) method and three full potential…
Calculations of the photonic band structure, transmission coefficients, and quality factors of various two-dimensional, periodic and aperiodic, dielectric photonic crystals by using the finite element method (FEM) are reported. The…
Optical properties of hybrid plasmonic waveguides and of low-Q cavities, formed by waveguides of finite length are investigated numerically. These structures are of interest as building-blocks of plasmon lasers. We use a time-harmonic…
A novel method for performing model updating on finite element models is presented. The approach is particularly tailored to modal analyses of buildings, by which the lowest frequencies, obtained by using sensors and system identification…
We have applied the Finite Element Method to the self-consistent electronic structure calculations of molecules and solids for the first time. In this approach all the calculations are performed in "real space" and the use of non-uniform…
Partial differential equations posed on surfaces arise in a number of applications. In this survey we describe three popular finite element methods for approximating solutions to the Laplace-Beltrami problem posed on an $n$-dimensional…
We present a $GW$ space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density response and the self-energy, while we employ $k$-point sampling…
This paper proposes a new method, in the frequency domain, to define absorbing boundary conditions for general two-dimensional problems. The main feature of the method is that it can obtain boundary conditions from the discretized equations…
We study bandstructure properties of periodic optical systems composed of lossy and intrinsically dispersive materials. To this end, we develop an analytical framework based on adjoint modes of a lossy periodic electromagnetic system and…
We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…
In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…
We introduce a practical and efficient approach for calculating the all-electron full potential bandstructure in real space, employing a finite element basis. As an alternative to the k-space method, the method involves the self-consistent…
The finite-element method is a preferred numerical method when electromagnetic fields at high accuracy are to be computed in nano-optics design. Here, we demonstrate a finite-element method using hp-adaptivity on tetrahedral meshes for…
To obtain the highest confidence on the correction of numerical simulation programs for the resolution of Partial Differential Equations (PDEs), one has to formalize the mathematical notions and results that allow to establish the soundness…
A finit periodic $\delta-\delta'$ comb was solved by the help of both classical approach based on a direct solving of a Sr\"{odinger} equation and a quantum wave impedance method. It was demonstrated that the violation of a periodicity…
Modern bandgap engineered electronic devices are typically made of multi-semiconductor multi-layer heterostructures that pose a major challenge to silicon-era characterization methods. As a result, contemporary bandgap engineering relies…
We present a spectral finite-element formulation of the optimized effective potential (OEP) method for atomic structure calculations in the random phase approximation (RPA). In particular, we develop a finite-element framework that employs…
We consider a large-scale quadratic eigenvalue problem (QEP), formulated using P1 finite elements on a fine scale reference mesh. This model describes damped vibrations in a structural mechanical system. In particular we focus on problems…
A state-of-the-art method that combines a quantum computational algorithm and machine learning, so-called quantum machine learning, can be a powerful approach for solving quantum many-body problems. However, the research scope in the field…
To obtain fast solutions for governing physical equations in solid mechanics, we introduce a method that integrates the core ideas of the finite element method with physics-informed neural networks and concept of neural operators. This…