Skip to content
Menu
Technical University of Munich
Technical University of Munich

Fabio Gratl, M.Sc.

Technical University of Munich

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

Office: MI 02.05.036
Mail: f.gratl (at) tum.de (contact me in German or English)
Tel: +49-89-289-18-618 (usually easier to reach me via email)
Office Hours: by arrangement

ORCid: 0000-0001-5195-7919

 

Background

  • Doctoral candidate, TUM Graduate School - CeDoSIA
  • Research Associate (Wissenschaftlicher Mitarbeiter) at TUM SCCS since February 2018
  • M.Sc. in Informatics, Technical University of Munich, 2017

Research interests

  • Molecular Dynamics
  • Node-Level Performance
  • Shared Memory Parallelization
  • Task-Based Parallelization
  • Vectorization
  • Auto-Tuning

Software projects

Student projects

Open student projects

Topics change (frequently) with my ongoing work and depend mostly on the interests and experience of the student. It is best to contact me directly if you are interested in a thesis or student project.

To get an idea of further possible topics, have a look at the completed thesis listed on this page and the following links:

Since I'm in the final phase of my Ph.D. I'm not giving out any new student projects anymore. If you are interested in any of the above, contact Sam Newcome, he works on very similar topics.

2024

  • Deng, Nanxing Nick: Implementation of Linked-Cells Traversals for 3-Body Interactions in AutoPas. Bachelor thesis, 2024 more…
  • Haberl, Alexander: Implementation of Verlet Lists for 3-Body Interactions in AutoPas. Bachelor thesis, 2024 more…
  • Hampe, Jan: Lookup-Table based Force Calculations for Molecular Dynamics Simulations with AutoPas. Bachelor thesis, 2024 more…
  • Schuhmacher, Jonas: Realistic Atmospheric Reentry Modelling and Refinement Extending ESA’s Flight Dynamics Library. Master thesis, 2024 more…

2023

  • Fischer, Vincent: Measuring and Optimizing the Energy Efficiency of Molecular Dynamics Simulations. IDP-Arbeit, 2023 more…
  • Humig, Tobias: Project Report: Exploring Performance Modeling in AutoPas. IDP-Arbeit, 2023 more…
  • Mundra, Akash: Detecting Performance Bottlenecks in HPC Applications Using Dynamic Metric Thresholds. Master thesis, 2023 more…
  • Schuhmacher, Jonas: Investigation of the Robustness of Neural Density Fields. Studien thesis, 2023 more…

2022

  • Eke, Timur: AutoPas on A64FX: Evaluation of Arm SVE Vectorization for Optimizing Molecular Dynamics Simulations. Bachelor thesis, 2022 more…
  • Gärtner, Ludwig: Integrating Kokkos into AutoPas for hardware agnostic particle simulations. Master thesis, 2022 more…
  • Hofmeier, Fritz: Integrating Numerical Backend Modularity into Torchquad Using Autoray. Master thesis, 2022 more…
  • Laumeyer, Leonhard: Can Reinforcement Learning be used to improve the autotuning process within AutoPas? Bachelor thesis, 2022 more…
  • Noswitz, Albert: Modeling Upcoming Megaconstellations in Space Debris Environment Simulations. Bachelor thesis, 2022 more…
  • Schuhmacher, Jonas: Efficient Polyhedral Gravity Modeling in Modern C++. IDP-Arbeit, 2022 more…

2021

  • Bösing, Oliver: Efficient Trajectory Modelling for Space Debris Evolution. Bachelor thesis, 2021 more…
  • Decker, Benjamin: Using Kokkos to implement a molecular dynamics simulation inspired by AutoPas. Bachelor thesis, 2021 more…
  • Kroll, Johannes: MPI-Parallel tuning strategies for inhomogeneous scenarios in AutoPas. Bachelor thesis, 2021 more…
  • Körner, Jacky: Enabling Massive Parallelism for the AutoPas Demonstrator MD-Flexible using Adaptive Domain Decomposition. Master thesis, 2021 more…
  • Penz, Raphael: Implementation and Evaluation of Additional Particle Simulation Types with AutoPas. Bachelor thesis, 2021 more…
  • Schuhmacher, Jonas: Efficient Implementation and Evaluation of the NASA Breakup Model in modern C++. Bachelor thesis, 2021 more…
  • Spies, Johannes: Implementation and Benchmarking of Adaptive Tree-based Particle Containers for AutoPas. Bachelor thesis, 2021 more…
  • Vladimirova, Tina: Implementation and Evaluation of Verlet List-based Methods in AutoPas. Bachelor thesis, 2021 more…

2020

  • Englhauser, Jakob Andreas: Application and Evaluation of Auto-Tuning Tools in Molecular Dynamics Simulations. Bachelor thesis, 2020 more…
  • Fischer, Vincent: Implementation and Analysis of Load Balancing Options for AutoPas’ Sliced Traversal. Bachelor thesis, 2020 more…
  • Harisch, Jeremy: Optimizing MPI Load Balancing in ls1 mardyn. Bachelor thesis, 2020 more…
  • Henkel, Twain Mark Thomas: Efficiency Analysis of Shared Memory Parallelizations from the Algorithm Portfolio in Autopas. Bachelor thesis, 2020 more…
  • Joachim Marin: Implementation of the Fast-Multipole-Method Using AutoPas. Bachelor thesis, 2020 more…
  • Krallmann, Sabrina: Implementation and Analysis of Parallelization Algorithms for Molecular Dynamics Simulations. Bachelor thesis, 2020 more…
  • Nguyen, Jan: AutoTuning using Bayesian Statistics in AutoPas. IDP-Arbeit, 2020 more…
  • Nguyen, Jan: Mixed discrete-continuous Bayesian Optimization for AutoTuning. Master thesis, 2020 more…
  • Papula, Marco: Implementing the Linked Cell Algorithm in AutoPas using References. Bachelor thesis, 2020 more…
  • Pelloth, Julian Mark: Implementing a predictive tuning strategy in AutoPas using extrapolation. Bachelor thesis, 2020 more…
  • Sauermann, Sascha: Integration of the C++ Node-Level AutoTuning Library AutoPas in the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). Master thesis, 2020 more…
  • Thieme, Wolf: Parallelization of Existing Tuning Strategies in AutoPas using MPI. Bachelor thesis, 2020 more…

2019

  • Candas, Deniz: Auto-Tuning via Machine Learning in AutoPas. Bachelor thesis, 2019 more…
  • Christian Menges: Optimization and Evaluation of the Linked-Cell Algorithm. Bachelor thesis, 2019 more…
  • Fottner, Nicola: Developing and Benchmarking a Molecular Dynamics Simulation using AutoPas. Bachelor thesis, 2019 more…
  • Geitner, Maximilian: Parallelizing Particle Simulations with Kokkos. Bachelor thesis, 2019 more…
  • Gärtner, Ludwig: Modeling and Automatic Tuning in High Performance Computing. Studien thesis, 2019 more…
  • Gärtner, Ludwig: Performance Analysis and Code Generation for the Force Calculation in Molecular Dynamics Simulations. Studien thesis, 2019 more…
  • Humig, Tobias Alexander: Development and Evaluation of Shared-Memory Parallelizations for Verlet-Lists in AutoPas. Bachelor thesis, 2019 more…
  • Sascha Sauermann: Performance Modelling for Auto-Tuning of Molecular Dynamics Simulations. IDP-Arbeit, 2019 more…
  • Spahl, Julian: Extending AutoPas to GPUs. Master thesis, 2019 more…

2018

  • Düll, Raffael: Evaluation and Adaptation of the Flexible Node-Level Library AutoPas in Molecular Dynamics Simulations. Bachelor thesis, 2018 more…

General

Summer 24

Summer 23

Winter 22

Summer 22

Winter 21

Summer 21

Winter 20

Summer 20

Winter 19

Summer 19

Winter 18

Summer 18

2023

  • Newcome, Samuel James; Gratl, Fabio Alexander; Neumann, Philipp; Bungartz, Hans-Joachim: Towards auto-tuning Multi-Site Molecular Dynamics simulations with AutoPas. Journal of Computational and Applied Mathematics 433, 2023, 115278 more…

2022

  • Gratl, Fabio Alexander; Gómez, Pablo: Exploring the Use of Molecular Dynamics Simulations for High-Performance Space Debris Collision Modelling. European Space Agency, 2022, more…
  • Gómez, Pablo; Gratl, Fabio Alexander; Oliver Bösing; Dario Izzo: Deterministic Conjunction Tracking in Long-term Space Debris Simulations. 3 rd IAA Conference on Space Situational Awareness (ICSSA), 2022 more…
  • Neumann, Philipp; Das Sharma, Amartya; Viot, Louis; Trummler, Theresa; Doehring, Alexander; Son, Min; Sander, Tobias; Pfitzner, Michael; Zigan, Lars; Klein, Markus; Gratl, Fabio; Newcome, Samuel; Bungartz, Hans-Joachim; Nitzke, Isabel; Homes, Simon; Vrabec, Jadran; Stierle, Rolf; Gross, Joachim; Auweter, Axel; Tippmann, Nico: MaST: Scale-Bridging Exploration of Transcritical Fluid Systems. dtec.bw-Beiträge der Helmut-Schmidt-Universität / Universität der Bundeswehr Hamburg Forschungsaktivitäten im Zentrum für Digitalisierungs- und Technologieforschung der Bundeswehr dtec.bw 1, 2022 more…

2021

  • Gratl, Fabio Alexander; Seckler, Steffen; Bungartz, Hans-Joachim; Neumann, Philipp: N Ways to Simulate Short-Range Particle Systems: Automated Algorithm Selection with the Node-Level Library AutoPas. Computer Physics Communications 273, 2021, 108262 more…
  • Seckler, Steffen; Gratl, Fabio; Heinen, Matthias; Vrabec, Jadran; Bungartz, Hans-Joachim; Neumann, Philipp: AutoPas in ls1 mardyn: Massively parallel particle simulations with node-level auto-tuning. Journal of Computational Science 50, 2021, 101296 more…

2019

  • Gratl, Fabio Alexander; Seckler, Steffen; Tchipev, Nikola; Bungartz, Hans-Joachim; Neumann, Philipp: AutoPas: Auto-Tuning for Particle Simulations. 2019 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), IEEE, 2019International Workshop on Automatic Performance Tuning (iWAPT) 2019 more…
  • Steffen Seckler; Fabio Gratl; Nikola Tchipev; Matthias Heinen; Jadran Vrabec; Hans-Joachim Bungartz; Philipp Neumann: Load Balancing and Auto-Tuning for Heterogeneous Particle Systems using ls1 mardyn. High-Performance Computing Center Stuttgart (HLRS), 2019, more…
  • Tchipev, Nikola; Seckler, Steffen; Heinen, Matthias; Vrabec, Jadran; Gratl, Fabio; Horsch, Martin; Bernreuther, Martin; Glass, Colin W; Niethammer, Christoph; Hammer, Nicolay; Krischok, Bernd; Resch, Michael; Kranzlmüller, Dieter; Hasse, Hans; Bungartz, Hans-Joachim; Neumann, Philipp: TweTriS: Twenty trillion-atom simulation. The International Journal of High Performance Computing Applications, 2019, 109434201881974 more…

2017

  • Gratl, Fabio Alexander: Implementation and Evaluation of Task-based Approaches for Molecular Dynamics Simulations. Studien thesis, 2017 more…
  • Gratl, Fabio Alexander: Implementation and Evaluation of Task-based Approaches for Molecular Dynamics Simulations. , 2017 more…
  • Gratl, Fabio Alexander: Task Based Parallelization of the Fast Multipole Method implementation of ls1-mardyn via QuickSched. Master thesis, 2017 more…
  • Gratl, Fabio Alexander: Implementation and Evaluation of Task-based Approaches for Molecular Dynamics Simulations. Studien thesis, 2017 more…
  • Tchipev, Nikola; Gallard, Jean-Matthieu; Gratl, Fabio; Obersteiner, Michael; Neumann, Philipp; Bungartz, Hans-Joachim: A Highly Optimized Implementation of the Fast Multipole Method within the Molecular Dynamics Code ls1-mardyn – 4th International Conference on Computational Engineering (ICCE 2017). 2017, more…

2014

  • Gratl, Fabio Alexander: Workflow automatization of verification and performance tests for SeisSol. Bachelor thesis, 2014 more…
  • Gratl, Fabio Alexander: Workflow automatization of verification and performance tests for SeisSol. Bachelor thesis, 2014 more…
  • Gratl, Fabio Alexander: Workflow automatization of verification and performance tests for SeisSol. , 2014 more…

2024

  • Newcome, Samuel James; Gratl, Fabio Alexander; Muehlhaeusser, Markus; Neumann, Philipp; Bungartz, Hans-Joachim: AutoPas: Dynamic Algorithm Selection in Molecular Dynamics for Optimal Time and Energy. SIAM Conference on Parallel Processing (PP24), SIAM, 2024Baltimore, United States of America more…

2023

  • Newcome, Samuel James; Gratl, Fabio Alexander; Neumann, Philipp; Bungartz, Hans-Joachim: Towards the Smarter Tuning of Molecular Dynamics Simulations. SIAM Conference on Computational Science and Engineering (CSE23), SIAM, 2023Amsterdam, The Netherlands more…

2019

  • Fabio Alexander Gratl; Steffen Seckler; Nikola Tchipev; Philipp Neumann; Hans-Joachim Bungartz: Auto-Tuning for Short-range Particle Simulation. PASC, 2019 more…
  • Seckler, Steffen; Tchipev, Nikola; Heinen, Matthias; Gratl, Fabio Alexander; Bungartz, Hans-Joachim; Neumann, Philipp: MPI-OpenMP Load Balanced Simulation of Inhomogeneous Particle Systems in ls1 Mardyn at Extreme Scale. SIAM CSE 2019 Spokane, 2019 more…

2018

  • Gratl, Fabio Alexander; Seckler, Steffen; Tchipev, Nikola; Neumann, Philipp; Bungartz, Hans-Joachim: AutoPas: A Library for N-Body Simulations Enabling Optimal Node-Level Performance Through Auto-Tuning. CoSaS, 20182018 more…
  • Gratl, Fabio Alexander; Tchipev, Nikola; Seckler, Steffen; Neumann, Philipp; Bungartz, Hans-Joachim: From Molecular Dynamics towards a Node-Level Auto-Tuning Library for N-Body Simulations. ISC, 20182018 more…

2024

  • Gratl, Fabio Alexander: Pimp My Simulation Further: Combining Strategies for Dynamic Algorithm Selection for Particle Simulations. Leogang High Performance Computing Workshop, The Munich Network Management Team, 2024 more…

2022

  • Gratl, Fabio Alexander: Pimp my Simulation: Dynamic Algorithm Selection for Particle Simulations. Leogang High Performance Computing Workshop, The Munich Network Management Team, 2022 more…
  • Gratl, Fabio Alexander; Gómez, Pablo: Exploring the Use of Molecular Dynamics Simulations for High-Performance Space Debris Collision Modelling. European Space Agency, 2022, more…

2021

  • Gratl, Fabio Alexander: Automated Algorithm Selection for Particle Simulations in Engineering Applications with AutoPas. VII International Conference on Particle-Based Methods (PARTICLES 2021), ECCOMAS;IACM, 2021 more…
  • Gratl, Fabio Alexander; Neumann, Philipp: Workshop AutoPas. Simulation Workflows in Materials Modelling (SWiMM 2021), 2021 more…

2020

  • Gratl, Fabio Alexander: Optimizing Molecular Dynamics Simulations with Dynamic Auto-Tuning. SIAM Conference on Parallel Processing for Scientific Computing 2020, SIAM, 2020 more…

2019

  • Gratl, Fabio Alexander: Node-Level Performance for Particle Simulations. (Talk / TaLPas Project Meeting 09 Mai 2019) 2019 more…
  • Gratl, Fabio Alexander: Leveraging Node-level Performance for Molecular Dynamics Through Auto-tuning. SIAM CSE, 2019MS319 Efficient Computational Methods for Molecular Dynamics more…
  • Gratl, Fabio Alexander: AutoPas: Auto-Tuning for Particle Simulations. 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), 2019International Workshop on Automatic Performance Tuning (iWAPT) 2019 more…
  • Steffen Seckler; Fabio Alexander Gratl; Hans-Joachim Bungartz; Philipp Neumann: AutoPas & ls1 mardyn: Enabling Auto-Tuning in MPI+X Load-Balanced Molecular Dynamics Simulations. Particles 2019, 2019VI International Conference on Particle-Based Methods more…
  • Steffen Seckler; Fabio Gratl; Nikola Tchipev; Matthias Heinen; Jadran Vrabec; Hans-Joachim Bungartz; Philipp Neumann: Load Balancing and Auto-Tuning for Heterogeneous Particle Systems using ls1 mardyn. High-Performance Computing Center Stuttgart (HLRS), 2019, more…

2018

  • Gratl, Fabio Alexander: Node-Level Performance for Particle Simulations. (Talk / TaLPas Project Meeting 12 Oktober 2018) 2018 more…
  • Gratl, Fabio Alexander: Workshop git. Meeting of the Boltzmann Zuse Society for Computational Molecular Engineering, 2018 more…
  • Gratl, Fabio Alexander: Node-Level Performance for Particle Simulations. (Talk / TaLPas Project Meeting 09 Mai 2018) 2018 more…
  • Gratl, Fabio Alexander: Task-Based Approaches for Molecular Dynamics Simulations. 89th GAMM Annual Meeting, 2018 more…

2017

  • Tchipev, Nikola; Gallard, Jean-Matthieu; Gratl, Fabio; Obersteiner, Michael; Neumann, Philipp; Bungartz, Hans-Joachim: A Highly Optimized Implementation of the Fast Multipole Method within the Molecular Dynamics Code ls1-mardyn – 4th International Conference on Computational Engineering (ICCE 2017). 2017, more…
To top