Bachelor's thesis presentation. Anna is advised by Markus Mühlhäußer, and Prof. Dr. Hans-Joachim Bungartz.
The SCCS Colloquium is a forum giving students, guests, and members of the chair the opportunity to present their research insights, results, and challenges. Do you need ideas for your thesis topic? Do you want to meet your potential supervisor? Do you want to discuss your research with a diverse group of researchers, rehearse your conference talk, or simply cheer for your colleagues? Then this is the right place for you (and you are also welcome to bring your friends along).
Upcoming talks
Anna Lena Müller: Implementation of 3-Body Verlet Cluster Lists in AutoPas
SCCS Colloquium |
Molecular dynamics simulations allow for the approximation of particle movements using numerical methods. Often, 2-body potentials are used for this, but the accuracy achieved is insufficient in more specific scenarios, which is why 3-body potentials, such as the Axilrod-Teller potential, can also be calculated.
However, this can only be achieved with significantly higher computational effort, as the computational cost of 3-body potentials grows cubically with the number of particles, and molecular dynamics often involves millions of particles. Therefore, it is crucial to use the most efficient algorithms for force calculation depending on the composition of the simulation space.
AutoPas is a C++ library that enables auto-tuning of molecular dynamics simulations. To offer AutoPas more options for calculating 3-body potentials, we implement three new methods for traversing particle triplets based on the Verlet Cluster List algorithm and compare them with similar methods from the library that are based on the Linked Cells and Verlet Lists algorithms.
We find that the new traversal methods generally perform better in most scenarios than traversals using the Linked Cells algorithm, but they perform significantly worse when compared to similar methods based on the Verlet Lists algorithm. The force calculation during traversal seems to be inefficient with the AoS data layout, so any increase in the number of particles per cluster degrades the performance — except for the case of 2 particles per cluster in the List Intersection approach.
However, due to the generally better parallel efficiency, lower memory requirements, and the lower increase in runtime both for a higher cutoff and for higher particle density, the traversal has potential for larger simulations where the cluster structure might be utilized better.
You don't want to miss a talk? Subscribe to our mailing list and our Colloquium calendar .
Contribute a talk
To register and schedule a talk, you should fill the form Colloquium Registration at least four weeks before the earliest preferred date. Keep in mind that we only have limited slots, so please plan your presentation early. In special cases, contact colloquium(at)mailsccs.in.tum.de.
Colloquium sessions are now on-campus. We have booked room MI 02.07.023 for WS24/25. You can either bring your own laptop or send us the slides as a PDF ahead of time. The projector only has an HDMI connection, so please bring your own adapters if necessary.
Do you want to attend but cannot make it in person? We now have a hybrid option. Simply join us through this BBB room: https://bbb.in.tum.de/shu-phv-eyq-rad
We invite students doing their Bachelor's or Master's thesis, as well as IDP, Guided Research, or similar projects at SCCS to give one 20min presentation to discuss their results and potential future work. The time for this is typically after submitting your final text. Check also with your study program regarding any requirements for a final presentation of your project work.
New: In regular times, we will now have slots for presenting early stage projects (talk time 2-10min). This is an optional opportunity for getting additional feedback early and there is no strict timeline.
Apart from students, we also welcome doctoral candidates and guests to present their projects.
During the colloquium, things usually go as follows:
- 10min before the colloquium starts, the speakers setup their equipment with the help of the moderator. The moderator currently is Ana Cukarska. Make sure to be using an easily identifiable name in the online session's waiting room.
- The colloquium starts with an introduction to the agenda and the moderator asks the speaker's advisor/host to put the talk into context.
- Your talk starts. The scheduled time for your talk is normally 20min with additional 5-10min for discussion.
- During the discussion session, the audience can ask questions, which are meant for clarification or for putting the talk into context. The audience can also ask questions in the chat.
- Congratulations! Your talk is over and it's now time to celebrate! Have you already tried the parabolic slides that bring you from the third floor to the Magistrale?
Do you remember a talk that made you feel very happy for attending? Do you also remember a talk that confused you? What made these two experiences different?
Here are a few things to check if you want to improve your presentation:
- What is the main idea that you want people to remember after your presentation? Do you make it crystal-clear? How quickly are you arriving to it?
- Which aspects of your work can you cover in the given time frame, with a reasonable pace and good depth?
- What can you leave out (but maybe have as back-up slides) to not confuse or overwhelm the audience?
- How are you investing the crucial first two minutes of your presentation?
- How much content do you have on your slides? Is all of it important? Will the audience know which part of a slide to look at? Will somebody from the last row be able to read the content? Will somebody with limited experience in your field have time to understand what is going on?
- Are the figures clear? Are you explaining the axes or any other features clearly?
In any case, make sure to start preparing your talk early enough so that you can potentially discuss it, rehearse it, and improve it.
Here are a few good videos to find out more:
- Simon Peyton Jones: How to Give a Great Research Talk (see also How to Write a Great Research Paper)
- Susan McConnell: Designing effective scientific presentations
- Jens Weller: Presenting Code
Did you know that the TUM English Writing Center can also help you with writing good slides?
Work with us!
Do your thesis/student project in Informatics / Mathematics / Physics: Student Projects at the SCCS.