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With the help of our recently developed massively parallel DGDFT (Discontinuous Galerkin Density Functional Theory) methodology, we perform large-scale Kohn-Sham density functional theory calculations on phosphorene nanoribbons with…
Density fitting (DF), also known as the resolution of the identity (RI), is a widely used technique in quantum chemical calculations with various types of atomic basis sets - Gaussian-type orbitals, Slater-type orbitals, as well as…
In the hyperbolic community, discontinuous Galerkin approaches are mainly applied when finite element methods are considered. As the name suggested, the DG framework allows a discontinuity at the element interfaces, which seems for many…
This paper presents high order accurate discontinuous Galerkin (DG) methods for wave problems on moving curved meshes with general choices of basis and quadrature. The proposed method adopts an arbitrary Lagrangian-Eulerian (ALE)…
In this paper we discuss a new and very efficient implementation of high order accurate ADER discontinuous Galerkin (ADER-DG) finite element schemes on modern massively parallel supercomputers. The numerical methods apply to a very broad…
The high-order accurate continuous Galerkin finite element method offers attractive computational efficiency for computational fluid dynamics. A challenge is however spurious oscillations which result for convection dominated flows over…
In this work, we apply the adaptive discontinuous Galerkin (DGAFEM) method to the convection dominated non-linear, quasi-stationary diffusion-convection-reaction equations. We propose an efficient preconditioner using a matrix reordering…
This paper proposes novel high-order accurate discontinuous Galerkin (DG) schemes for the one- and two-dimensional ten-moment Gaussian closure equations with source terms defined by a known potential function. Our DG schemes exhibit the…
This work presents and compares efficient implementations of high-order discontinuous Galerkin methods: a modal matrix-free discontinuous Galerkin (DG) method, a hybridizable discontinuous Galerkin (HDG) method, and a primal formulation of…
We develop an entropy-stable nodal discontinuous Galerkin (DG) scheme for the Euler equations with gravity, which is also well-balanced with respect to general equilibrium solutions, including both hydrostatic and moving equilibria. The…
This paper is concerned with the design, analysis and implementation of preconditioning concepts for spectral Discontinuous Galerkin discretizations of elliptic boundary value problems. While presently known techniques realize a growth of…
In this paper, we develop a sparse grid discontinuous Galerkin (DG) scheme for transport equations and applied it to kinetic simulations. The method uses the weak formulations of traditional Runge-Kutta DG (RKDG) schemes for hyperbolic…
In this paper, we develop a local multiscale model reduction strategy for the elastic wave equation in strongly heterogeneous media, which is achieved by solving the problem in a coarse mesh with multiscale basis functions. We use the…
Heterogeneous computing and exploiting integrated CPU-GPU architectures has become a clear current trend since the flattening of Moore's Law. In this work, we propose a numerical and algorithmic re-design of a p-adaptive quadrature-free…
A conforming discontinuous Galerkin finite element method is introduced for solving the biharmonic equation. This method, by its name, uses discontinuous approximations and keeps simple formulation of the conforming finite element method at…
The numerical solution of partial differential equations is at the heart of many grand challenges in supercomputing. Solvers based on high-order discontinuous Galerkin (DG) discretisation have been shown to scale on large supercomputers…
A considerable amount of attention has been given to discontinuous Galerkin methods for hyperbolic problems in numerical relativity, showing potential advantages of the methods in dealing with hydrodynamical shocks and other…
Discontinuous Galerkin (DG) methods discretized under the method of lines must handle the inverse of a block diagonal mass matrix at each time step. Efficient implementations of the DG method hinge upon inexpensive and low-memory techniques…
This paper presents a class of novel high-order accurate discontinuous Galerkin (DG) schemes for the compressible Euler equations under gravitational fields. A notable feature of these schemes is that they are well-balanced for a general…
High-order accurate discontinuous Galerkin (DG) methods have emerged as powerful tools for solving partial differential equations such as the compressible Navier-Stokes equations due to their excellent dispersion-dissipation properties and…