Related papers: Real-time time-dependent density functional theory…
We present a cut finite element method for the heat equation on two overlapping meshes: a stationary background mesh and an overlapping mesh that moves around inside/"on top" of it. Here the overlapping mesh is prescribed a simple…
This paper is concerned with the adaptive numerical treatment of stochastic partial differential equations. Our method of choice is Rothe's method. We use the implicit Euler scheme for the time discretization. Consequently, in each step, an…
This work presents a non-intrusive surrogate modeling scheme based on machine learning technology for predictive modeling of complex systems, described by parametrized time-dependent PDEs. For these problems, typical finite element…
This paper considers weak Galerkin finite element approximations for a quasistatic Maxwell viscoelastic model. The spatial discretization uses piecewise polynomials of degree $k \ (k\geq 1)$ for the stress approximation, degree $k+1$ for…
We construct a fully discrete numerical scheme that is linear, decoupled, and unconditionally energy stable, and analyze its optimal error estimates for the Cahn-Hilliard-Navier-Stokes equations. For time discretization, we employ the two…
We propose a new discrete element method supporting general polyhedral meshes. The method can be understood as a lowest-order discontinuous Galerkin method parametrized by the continuous mechanical parameters (Young's modulus and Poisson's…
In this paper, we propose and analyze a gradient flow based Kohn-Sham density functional theory. First, we prove that the critical point of the gradient flow based model can be a local minimizer of the Kohn-Sham total energy. Then we apply…
We present a high order one-step ADER-WENO finite volume scheme with space-time adaptive mesh refinement (AMR) for the solution of the special relativistic hydrodynamic and magnetohydrodynamic equations. By adopting a local discontinuous…
The multimesh finite element method enables the solution of partial differential equations on a computational mesh composed by multiple arbitrarily overlapping meshes. The discretization is based on a continuous--discontinuous function…
In this paper, we propose a novel high order unfitted finite element method on Cartesian meshes for solving the acoustic wave equation with discontinuous coefficients having complex interface geometry. The unfitted finite element method…
This paper aims to develop an efficient adaptive finite element method for the second-order elliptic problem. Although the theory for adaptive finite element methods based on residual-type a posteriori error estimator and bisection…
In this paper, we analyze the discrete inf-sup condition and related error estimates for a modified Hilbert transformation as used in the space-time discretization of time-dependent partial differential equations. It turns out that the…
We present a low-rank Koopman operator formulation for accelerating deformable subspace simulation. Using a Dynamic Mode Decomposition (DMD) parameterization of the Koopman operator, our method learns the temporal evolution of deformable…
Efficient exploitation of exascale architectures requires rethinking of the numerical algorithms used in many large-scale applications. These architectures favor algorithms that expose ultra fine-grain parallelism and maximize the ratio of…
In this paper, a semi-discrete spatial finite volume (FV) method is proposed and analyzed for approximating solutions of anomalous subdiffusion equations involving a temporal fractional derivative of order $\alpha \in (0,1)$ in a…
The aim of this paper is to apply a high-order discontinuous-in-time scheme to second-order hyperbolic partial differential equations (PDEs). We first discretize the PDEs in time while keeping the spatial differential operators…
This work investigates a fully discrete mixed finite element method for the stochastic Boussinesq system driven by multiplicative noise. The spatial discretization is performed using a standard mixed finite element method, while the…
We propose a space-time scheme that combines an unfitted finite element method in space with a discontinuous Galerkin time discretisation for the accurate numerical approximation of parabolic problems with moving domains or interfaces. We…
We present a low order virtual element discretization for time dependent Maxwell's equations, which allow for the use of general polyhedral meshes. Both the semi- and fully-discrete schemes are considered. We derive optimal a priori…
We present a new linear scaling method for the energy minimization step of semiempirical and first-principles Hartree-Fock and Kohn-Sham calculations. It is based on the self-consistent calculation of the optimum localized orbitals of any…