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With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…

Chemical Physics · Physics 2020-04-03 William Dawson , Stephan Mohr , Laura E. Ratcliff , Takahito Nakajima , Luigi Genovese

Deformable fractured porous media appear in many geoscience applications. While the extended finite element (XFEM) has been successfully developed within the computational mechanics community for accurate modeling of the deformation, its…

Computational Physics · Physics 2021-04-07 Fanxiang Xu , Hadi Hajibeygi , Lambertus J. Sluys

We develop a high order cut finite element method for the Stokes problem based on general inf-sup stable finite element spaces. We focus in particular on composite meshes consisting of one mesh that overlaps another. The method is based on…

Numerical Analysis · Mathematics 2015-05-05 August Johansson , Mats G. Larson , Anders Logg

The increasing demand for larger and higher fidelity simulations has made Adaptive Mesh Refinement (AMR) and unstructured mesh techniques essential to focus compute effort and memory cost on just the areas of interest in the simulation…

Graphics · Computer Science 2025-01-23 Xuan Huang , Will Usher , Valerio Pascucci

We construct a new compact semi-explicit three-level in time fourth-order finite-difference scheme for numerical solving the general multidimensional acoustic wave equation, where both the speed of sound and density of a medium are…

Numerical Analysis · Mathematics 2025-04-02 A. Zlotnik , T. Lomonosov

We study the performance of fourth-order gradient expansions of the kinetic energy density (KED) in semi-local kinetic energy functionals depending on the density-dependent variables. The formal fourth-order expansion is convergent for…

Computational Physics · Physics 2019-01-30 Pavlo Golub , Sergei Manzhos

This paper deals with the development of a Reduced-Order Model (ROM) to investigate haemodynamics in cardiovascular applications. It employs the use of Proper Orthogonal Decomposition (POD) for the computation of the basis functions and the…

Numerical Analysis · Mathematics 2025-01-24 Pierfrancesco Siena , Pasquale Claudio Africa , Michele Girfoglio , Gianluigi Rozza

In this paper, based on the developed nonlinear fourth-order operator and method of order reduction, a novel fourth-order compact difference scheme is constructed for the mixed-type time-fractional Burgers' equation, from which…

Numerical Analysis · Mathematics 2022-09-02 Xiangyi Peng , Da Xu , Wenlin Qiu

First-order methods (FOMs) have been widely used for solving large-scale problems. A majority of existing works focus on problems without constraint or with simple constraints. Several recent works have studied FOMs for problems with…

Optimization and Control · Mathematics 2021-02-10 Zichong Li , Yangyang Xu

To achieve efficient and accurate long-time integration, we propose a fast, accurate, and stable high-order numerical method for solving fractional-in-space reaction-diffusion equations. The proposed method is explicit in nature and…

Numerical Analysis · Mathematics 2020-03-31 Almushaira Mustafa , Harish Bhatt

In this work, we build upon the recently introduced Multiscale Robin Coupled Method with Oversampling and Smoothing (MRCM-OS) to develop two highly efficient iterative multiscale methods. The MRCM-OS methodology demonstrated the ability to…

Numerical Analysis · Mathematics 2025-02-25 Dilong Zhou , Rafael T. Guiraldello , Felipe Pereira

Since the advent of mesh-free methods as a tool for the numerical analysis of systems of Partial Differential Equations (PDEs), many variants of differential operator approximation have been proposed. In this work, we propose a local…

Numerical Analysis · Mathematics 2022-03-07 Mitja Jančič , Gregor Kosec

We propose a high-order FDTD scheme based on the correction function method (CFM) to treat interfaces with complex geometry without increasing the complexity of the numerical approach for constant coefficients. Correction functions are…

Numerical Analysis · Mathematics 2020-02-18 Yann-Meing Law , Alexandre Noll Marques , Jean-Christophe Nave

Reduced-order simulation is an emerging method for accelerating physical simulations with high DOFs, and recently developed neural-network-based methods with nonlinear subspaces have been proven effective in diverse applications as more…

Machine Learning · Computer Science 2024-09-09 Aoran Lyu , Shixian Zhao , Chuhua Xian , Zhihao Cen , Hongmin Cai , Guoxin Fang

We devise and evaluate numerically a Hybrid High-Order (HHO) method for incremental associative plasticity with small deformations. The HHO method uses as discrete unknowns piecewise polynomials of order $k\ge1$ on the mesh skeleton,…

Computational Engineering, Finance, and Science · Computer Science 2019-02-20 Mickaël Abbas , Alexandre Ern , Nicolas Pignet

We propose an algorithm for the computational homogenization of locally periodic hyperelastic structures undergoing large deformations due to external quasi-static loading. The algorithm performs clustering of macroscopic deformations into…

Numerical Analysis · Mathematics 2026-02-26 Vladimír Lukeš , Eduard Rohan

Effective models for slender structures derived from well-known plate (or shell) theories are justified within the limit of a small thickness, and may therefore prove limited for intermediate slenderness. On the other hand, direct 3D…

Numerical Analysis · Mathematics 2026-03-30 Jean Ruel , Frédéric Legoll , Arthur Lebée , Ludovic Chamoin

We present a theoretical and computational framework based on fractional calculus for the analysis of the nonlocal static response of cylindrical shell panels. The differ-integral nature of fractional derivatives allows an efficient and…

Computational Engineering, Finance, and Science · Computer Science 2022-06-29 Sai Sidhardh , Sansit Patnaik , Fabio Semperlotti

In the present work, we investigate the computational efficiency afforded by higher-order finite-element discretization of the saddle-point formulation of orbital-free density functional theory. We first investigate the robustness of viable…

Computational Physics · Physics 2015-05-30 Phani Motamarri , Mrinal Iyer , Jaroslaw Knap , Vikram Gavini

We introduce a new resource-efficient scheme for fault-tolerant quantum computation known as `macroscale multiplexing' (or simply `Macromux'), that utilizes scalable postselection to significantly improve the threshold of a given…

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