Related papers: High-performance computing for the BGK model of th…
When the molecules of a gaseous system are far apart, say in microscale gas flows where the surface to volume ratio is high and hence the surface forces dominant, the molecule-surface interactions lead to the formation of a local…
We present a tensor-decomposition method to solve the Boltzmann transport equation (BTE) in the Bhatnagar-Gross-Krook approximation. The method represents the six-dimensional BTE as a set of six one-dimensional problems, which are solved…
Immersed boundary-lattice Boltzmann method (IB-LBM) has been widely used for simulation of particle-laden flows recently. However, it was limited to small-scale simulations with no more than O(103) particles. Here, we expand IB-LBM for…
The construction of discontinuous Galerkin (DG) methods for the compressible Euler or Navier-Stokes equations (NSE) includes the approximation of non-linear flux terms in the volume integrals. The terms can lead to aliasing and stability…
In this work, we present an extension of Gaussian process (GP) models with sophisticated parallelization and GPU acceleration. The parallelization scheme arises naturally from the modular computational structure w.r.t. datapoints in the…
We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of k points to sample the Brillouin zone as happens, for…
A new high order accurate semi-implicit space-time Discontinuous Galerkin method on staggered grids, for the simulation of viscous incompressible flows on two-dimensional domains is presented. The designed scheme is of the Arbitrary…
Discrete variational methods show excellent performance in numerical simulations of different mechanical systems. In this paper, we introduce an iterative procedure for the solution of discrete variational equations for boundary value…
The DG algorithm is a powerful method for solving pdes, especially for evolution equations in conservation form. Since the algorithm involves integration over volume elements, it is not immediately obvious that it will generalize easily to…
In this paper we will review recent advances in the application of the augmented Lagrange multiplier method as a general approach for generating multiplier--free stabilised methods. We first show how the method generates Galerkin/Least…
We analyze numerical approximations for axisymmetric two-phase flow in the arbitrary Lagrangian-Eulerian (ALE) framework. We consider a parametric formulation for the evolving fluid interface in terms of a one-dimensional generating curve.…
We introduce two novel interpolatory dynamical low-rank (DLR) approximation methods for the efficient time integration of the Boltzmann-BGK equation. Both methods overcome limitations of classic DLR schemes based on orthogonal projections…
Understanding fundamental kinetic processes is important for many problems, from plasma physics to gas dynamics. A first-principles approach to these problems requires a statistical description via the Boltzmann equation, coupled to…
Deterministic solutions of the Boltzmann equation represent a real challenge due to the enormous computational effort which is required to produce such simulations and often stochastic methods such as Direct Simulation Monte Carlo (DSMC)…
Bayesian optimization (BO) is a widely-used method for optimizing expensive (to evaluate) problems. At the core of most BO methods is the modeling of the objective function using a Gaussian Process (GP) whose covariance is selected from a…
This paper presents robust discontinuous Galerkin methods for the incompressible Navier-Stokes equations on moving meshes. High-order accurate arbitrary Lagrangian-Eulerian formulations are proposed in a unified framework for both…
Euler's elastica model has been extensively studied and applied to image processing tasks. However, due to the high nonlinearity and nonconvexity of the involved curvature term, conventional algorithms suffer from slow convergence and high…
This paper deals with the identification of linear stochastic dynamical systems, where the unknowns include system coefficients and noise variances. Conventional approaches that rely on the maximum likelihood estimation (MLE) require…
We present a massively parallel, GPU-accelerated implementation of the Bethe-Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting…
Kinetic equations model the position-velocity distribution of particles subject to transport and collision effects. Under a diffusive scaling, these combined effects converge to a diffusion equation for the position density in the limit of…