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The aim of this work is to apply a semi-implicit (SI) strategy within a Rosenbrock-type and IMEX linear multistep (LM) framework to a sequence of 1D time-dependent partial differential equations (PDEs) with high order spatial derivatives.…
Typical areas of application of explicit dynamics are impact, crash test, and most importantly, wave propagation simulations. Due to the numerically highly demanding nature of these problems, efficient automatic mesh generators and…
Current high-performance computer systems used for scientific computing typically combine shared memory computational nodes in a distributed memory environment. Extracting high performance from these complex systems requires tailored…
Immersed boundary methods have attracted substantial interest in the last decades due to their potential for computations involving complex geometries. Often these cannot be efficiently discretized using boundary-fitted finite elements.…
The net charge of solvated entities, ranging from polyelectrolytes and biomolecules to charged nanoparticles and membranes, depends on the local dissociation equilibrium of individual ionizable groups. Incorporation of this phenomenon,…
This thesis presents novel algorithms to advance robotic object rearrangement, a critical task for autonomous systems in applications like warehouse automation and household assistance. Addressing challenges of high-dimensional planning,…
This paper describes an angular adaptivity algorithm for Boltzmann transport applications which for the first time shows evidence of $\mathcal{O}(n)$ scaling in both runtime and memory usage, where $n$ is the number of adapted angles. This…
This paper presents OTM-MPI, an extension of the Open Traffic Models platform (OTM) for running macroscopic traffic simulations in high-performance computing environments. Macroscopic simulations are appropriate for studying regional…
Techniques to evaluate a program's cache performance fall into two camps: 1. Traditional trace-based cache simulators precisely account for sophisticated real-world cache models and support arbitrary workloads, but their runtime is…
Numerical investigation of compressible flows faces two main challenges. In order to accurately describe the flow characteristics, high-resolution nonlinear numerical schemes are needed to capture discontinuities and resolve wide…
This paper is concerned with the development and testing of advanced time-stepping methods suited for the integration of time-accurate, real-world applications of computational fluid dynamics (CFD). The performance of several time…
High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…
The problem of packing a set of circles into the smallest surrounding container is considered. This problem arises in different application areas such as automobile, textile, food, and chemical industries. The so-called circle packing…
Matrix acidization simulation is a challenging task in the study of flows in porous media, due to the changing porosity in the procedure. The improved DBF framework is one model to do this simulation, and its numerical scheme discretises…
In this paper we propose a parallel coordinate descent algorithm for solving smooth convex optimization problems with separable constraints that may arise e.g. in distributed model predictive control (MPC) for linear network systems. Our…
Large-scale parallel numerical simulations are essential for a wide range of engineering problems that involve complex, coupled physical processes interacting across a broad range of spatial and temporal scales. The data structures involved…
This work proposes a novel variational approximation of partial differential equations on moving geometries determined by explicit boundary representations. The benefits of the proposed formulation are the ability to handle large…
We describe a novel iterative strategy for Kohn-Sham density functional theory calculations aimed at large systems (> 1000 electrons), applicable to metals and insulators alike. In lieu of explicit diagonalization of the Kohn-Sham…
The multiscale nature of turbulent combustion necessitates accurate and computationally efficient methods for direct numerical simulations (DNS). The field has long been dominated by high-order finite differences, which lack the flexibility…
We derive a new discretisation method for first order PDEs of arbitrary spatial dimension, which is based upon a meshfree spatial approximation. This spatial approximation is similar to the SPH (smoothed particle hydrodynamics) technique…