Related papers: An adaptive planewave method for electronic struct…
Integrity of layered structures, extensively used in modern industry, strongly depends on the quality of their interfaces; poor adhesion or delamination can lead to a failure of the structure. Can nonlinear waves help us to control the…
Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. For quantum systems, where the dimension of the problem space grows exponentially, finding the eigenvalues of certain…
There are two usual computational methods for linear (waves and instabilities) problem: eigenvalue (dispersion relation) solver and initial value solver. In fact, we can introduce an idea of the combination of them, i.e., we keep time…
This paper introduces two new algorithms to accurately estimate the process noise covariance of a discrete-time Kalman filter online for robust orbit determination in the presence of dynamics model uncertainties. Common orbit determination…
Buildings rarely perform as designed/simulated and and there are numerous tangible benefits if this gap is reconciled. A new scientific yet pragmatic methodology - called Enhanced Parameter Estimation (EPE) - is proposed that allows…
A characteristic feature of the state-of-the-art of real-space methods in electronic structure calculations is the diversity of the techniques used in the discretization of the relevant partial differential equations. In this context, the…
In this paper, we propose a method for computing eigenvalues of elliptic problems using Deep Learning techniques. A key feature of our approach is that it is independent of the space dimension and can compute arbitrary eigenvalues without…
We consider the approximation of eigenvalue problems for elasticity equations with interface. This kind of problems can be efficiently discretized by using immersed finite element method (IFEM) based on Crouzeix-Raviart P1-nonconforming…
The generalized stacking-fault energy (GSFE) is the fundamental but key parameter for the plastic deformation of materials. We perform first-principles calculations by full-potential linearized augmented planewave (FLAPW) method to evaluate…
We study the numerical error in solitary wave solutions of nonlinear dispersive wave equations. A number of existing results for discretizations of solitary wave solutions of particular equations indicate that the error grows quadratically…
In this paper, we are concerned with the weighted plane wave least-squares (PWLS) method for three-dimensional Helmholtz equations, and develop the multi-level adaptive BDDC algorithms for solving the resulting discrete system. In order to…
Modern depth sensors can generate a huge number of 3D points in few seconds to be latter processed by Localization and Mapping algorithms. Ideally, these algorithms should handle efficiently large sizes of Point Clouds under the assumption…
Self-consistent computations of the potential profile in complex semiconductor heterostructures can be successfully applied for comprehensive simulation of the gain and the absorption spectra, for the analysis of the capture, escape,…
The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quantum chemistry with noisy quantum devices. Nevertheless, to…
The multiscale complexity of modern problems in computational science and engineering can prohibit the use of traditional numerical methods in multi-dimensional simulations. Therefore, novel algorithms are required in these situations to…
We describe how to apply the recently developed pole expansion and selected inversion (PEXSI) technique to Kohn-Sham density function theory (DFT) electronic structure calculations that are based on atomic orbital discretization. We give…
The vertical modes of linearized equations of motion are widely used by the oceanographic community in numerous theoretical and observational contexts. However, the standard approach for solving the generalized eigenvalue problem using…
In this paper, we give a numerical analysis for the transmission eigenvalue problem by the finite element method. A type of multilevel correction method is proposed to solve the transmission eigenvalue problem. The multilevel correction…
This note considers the unstructured sparse recovery problems in a general form. Examples include rational approximation, spectral function estimation, Fourier inversion, Laplace inversion, and sparse deconvolution. The main challenges are…
Port-Hamiltonian systems provide a highly-structured framework for modeling of physical systems. By definition, they encode a balance equation relating energy changes to supplied and dissipated energy. Capturing this energy balance in…