Markus Mühlhäußer, M. Sc.

Technical University of Munich

TUM School of CIT
Department of Computer Science
Boltzmannstrasse 3
85748 Garching

Office: MI 02.05.036
Mail: markus.muehlhaeusser (at) (German or English)
Tel: +49-89-289-18-615
Office Hours: by arrangement



  • Research Associate at Technical University Munich, Institute for Informatics, Chair for Scientific Computing in Computer Science, since 2023
    • Researching performance algorithms for Molecular Dynamics Simulation.
  • M.Sc. in Computational Science and Engineering (CSE), TUM, 2022
    • Thesis on Computational Fluid Dynamics with OpenFOAM and preCICE
  • B.Sc. in Nanotechnology, FAU Erlangen-Nürnberg, 2020

Research interests

  • Molecular Dynamics Simulations (in general)
  • 3-body MD Simulations
  • Auto-Tuning MD Simulations

Software projects

Student projects

Student projects

If you are interested in a project (Bachelor's Thesis, Master's Thesis, IDP...) on the topic of Molecular Dynamics, please write me an email. Ideally, let me know about any experience you might have with Molecular Dynamics, Simulations, High Performance Computing or C++.
Most topics are about adding or exploring new ideas or features for our Software AutoPas.

To get a better overview on what kind of topics we usually have, you can have a look at the theses supervised by Fabio Gratl or Samuel Newcome.

  • Deng, Nanxing Nick: Implementation of Linked-Cells Traversals for 3-Body Interactions in AutoPas. Bachelor thesis, 2024 more…
  • Gall, Luis: An Exploration of Different Approaches for Implementing Verlet Lists in AutoPas. Bachelor thesis, 2023 more…
  • Quedzuweit, Robin: Comparison of performance-portable Vectorization Tools for the Lennard-Jones Force Calculation. Bachelor thesis, 2023 more…


Winter semester 2023/24

Summer semester 2023