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The discontinuous Galerkin (DG) algorithm is a representative high order method in Computational Fluid Dynamics (CFD) area which possesses considerable mathematical advantages such as high resolution, low dissipation, and dispersion.…
Stochastic Galerkin methods for non-affine coefficient representations are known to cause major difficulties from theoretical and numerical points of view. In this work, an adaptive Galerkin FE method for linear parametric PDEs with…
Matrix diagonalization is almost always involved in computing the density matrix needed in quantum chemistry calculations. In the case of modest matrix sizes ($\lesssim$ 5000), performance of traditional dense diagonalization algorithms on…
We extend the applicability of the popular interior-penalty discontinuous Galerkin (dG) method discretizing advection-diffusion-reaction problems to meshes comprising extremely general, essentially arbitrarily-shaped element shapes. In…
We extend earlier international efforts to optimise hexahedral-based spectral element methods on GPUs and vectorised CPUs to mixed element meshes additionally involving prismatic, pyramidic, and tetrahedral shapes using tensorial…
In recent years, there is a surge on machine learning applications in industry. Many of them are based on popular AI frameworks like Tensorflow, Torch, Caffe, or MxNet, etc, and are enpowered by accelerator platforms such as GPUs. One…
We describe a high order technique to generate quadrilateral decompositions and meshes for complex two dimensional domains using spectral elements in a field guided procedure. Inspired by cross field methods, we never actually compute…
The two-fluid plasma model has a wide range of timescales which must all be numerically resolved regardless of the timescale on which plasma dynamics occurs. The answer to solving numerically stiff systems is generally to utilize…
We present new and efficient quadrature rules for computing the stiffness matrices of mass-lumped tetrahedral elements for wave propagation modelling. These quadrature rules allow for a more efficient implementation of the mass-lumped…
A Discontinuous Galerkin (DG) Finite Element Method (FEM) approach for the 3D time dependent Maxwell equations in unbounded domains is presented. The method (implemented in the FEM library NGsolve) is based on the covariant transformation…
This paper introduces a new weak Galerkin (WG) finite element method for second order elliptic equations on polytopal meshes. This method, called WG-FEM, is designed by using a discrete weak gradient operator applied to discontinuous…
We introduce the concept of data-driven finite element methods. These are finite-element discretizations of partial differential equations (PDEs) that resolve quantities of interest with striking accuracy, regardless of the underlying mesh…
Exotic behaviour of mechanical metamaterials often relies on an internal transformation of the underlying microstructure triggered by its local instabilities, rearrangements, and rotations. Depending on the presence and magnitude of such a…
We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…
We consider fast deterministic algorithms to identify the "best" linearly independent terms in multivariate mixtures and use them to compute, up to a user-selected accuracy, an equivalent representation with fewer terms. One algorithm…
We study the D-optimal Data Fusion (DDF) problem, which aims to select new data points, given an existing Fisher information matrix, so as to maximize the logarithm of the determinant of the overall Fisher information matrix. We show that…
Discontinuous Galerkin (DG) methods for the numerical solution of partial differential equations have enjoyed considerable success because they are both flexible and robust: They allow arbitrary unstructured geometries and easy control of…
The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kernels for high angular momentum basis functions however often…
Geometric integration theory can be employed when numerically solving ODEs or PDEs with constraints. In this paper, we present several one-step algorithms of various orders for ODEs on a collection of spheres. To demonstrate the versatility…
The authors have shown in previous contributions that reduced order modeling with optimal cubature applied to finite element square (FE2) techniques results in a reliable and affordable multiscale approach, the HPR-FE2 technique. Such…