An overview of a posteriori error estimation and post-processing methods for nonlinear eigenvalue problems

G Dusson, Y Maday - Journal of Computational Physics, 2023 - Elsevier
In this article, we present an overview of different a posteriori error analysis and post-
processing methods proposed in the context of nonlinear eigenvalue problems, eg arising in …

Fast evaluation method of post-impact performance of bridges based on dynamic load test data using Gaussian process regression

P Lu, Y Ma, Y Wu, D Li, T Jin, Z Li, Y Chen - Engineering Applications of …, 2024 - Elsevier
Bridges occasionally suffer from the vehicle or ship collision accidents, leading to structural
damage and bridge collapse, resulting in severe consequences such as casualties, ship …

Prediction method of bridge static load test results based on Kriging model

P Lu, Z Xu, Y Chen, Y Zhou - Engineering Structures, 2020 - Elsevier
To solve the problems of expensive bridge load test cost, traffic congestion influence, and
damage to bridges by load test, the dynamic experimental results based on the inexpensive …

[图书][B] Density Functional Theory

E Cancès, G Friesecke - 2023 - Springer
Density functional theory (DFT) provides the most widely used models for simulating
molecules and materials based on the fundamental laws of quantum mechanics. It earned …

A phase field method based on multi-level correction for eigenvalue topology optimization

M Qian, X Hu, S Zhu - Computer Methods in Applied Mechanics and …, 2022 - Elsevier
In topology optimization, finite element methods are usually required to solve state
equations repeatedly. Considerable computational costs are required for iterative solvers to …

An unconditionally energy-stable and orthonormality-preserving iterative scheme for the Kohn-Sham gradient flow based model

X Wang, H Chen, J Kou, S Sun - Journal of Computational Physics, 2024 - Elsevier
We propose an unconditionally energy-stable, orthonormality-preserving, component-wise
splitting iterative scheme for the Kohn-Sham gradient flow based model in the electronic …

[PDF][PDF] A Linearized Structure-Preserving Numerical Scheme for a Gradient Flow Model of the Kohn-Sham Density Functional Theory

G Hu, T Wang, J Zhou - East Asian Journal on Applied …, 2023 - doc.global-sci.org
Dai et al.[Multiscale Model. Simul. 18 (2020)] proposed a gradient flow model and a
numerical scheme for ground state calculations in Kohn-Sham density functional theory. It is …

Hybrid finite element/multipole expansion method for atomic Kohn-Sham density functional theory calculations

MA Yalçın, İ Temizer - Computer Physics Communications, 2023 - Elsevier
A numerical framework is developed for aspherical atomic Kohn-Sham density functional
theory calculations. The framework invokes higher-order finite elements as a radial …

Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn–Sham density functional theory based on higher-order finite element …

İ Temizer - Computer Methods in Applied Mechanics and …, 2021 - Elsevier
Kohn–Sham density functional theory is an ab initio framework for electronic structure
calculation that offers a basis for nonphenomenological multiscale approaches. In this work …

Second-order Sobolev gradient flows for computing ground state of ultracold Fermi gases

X Zhang, H Wang - Journal of Computational and Applied Mathematics, 2024 - Elsevier
Based on density functional theory, the ground state for ultracold Fermi gases with dipole–
dipole interaction is a functional minimization problem with orthonormality constraints. Many …