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Technische Universität München
Technische Universität München

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. Bachelorarbeit, 2024 mehr…
  • Haberl, Alexander: Implementation of Verlet Lists for 3-Body Interactions in AutoPas. Bachelorarbeit, 2024 mehr…
  • Hampe, Jan: Lookup-Table based Force Calculations for Molecular Dynamics Simulations with AutoPas. Bachelorarbeit, 2024 mehr…
  • Schuhmacher, Jonas: Realistic Atmospheric Reentry Modelling and Refinement Extending ESA’s Flight Dynamics Library. Masterarbeit, 2024 mehr…

2023

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

2022

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

2021

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

2020

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

2019

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

2018

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

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 mehr…

2022

  • Gratl, Fabio Alexander; Gómez, Pablo: Exploring the Use of Molecular Dynamics Simulations for High-Performance Space Debris Collision Modelling. European Space Agency, 2022, mehr…
  • 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 mehr…
  • 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 mehr…

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 mehr…
  • 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 mehr…

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 mehr…
  • 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, mehr…
  • 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 mehr…

2017

  • Gratl, Fabio Alexander: Implementation and Evaluation of Task-based Approaches for Molecular Dynamics Simulations. Studienarbeit, 2017 mehr…
  • Gratl, Fabio Alexander: Implementation and Evaluation of Task-based Approaches for Molecular Dynamics Simulations. , 2017 mehr…
  • Gratl, Fabio Alexander: Task Based Parallelization of the Fast Multipole Method implementation of ls1-mardyn via QuickSched. Masterarbeit, 2017 mehr…
  • Gratl, Fabio Alexander: Implementation and Evaluation of Task-based Approaches for Molecular Dynamics Simulations. Studienarbeit, 2017 mehr…
  • 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, mehr…

2014

  • Gratl, Fabio Alexander: Workflow automatization of verification and performance tests for SeisSol. Bachelorarbeit, 2014 mehr…
  • Gratl, Fabio Alexander: Workflow automatization of verification and performance tests for SeisSol. Bachelorarbeit, 2014 mehr…
  • Gratl, Fabio Alexander: Workflow automatization of verification and performance tests for SeisSol. , 2014 mehr…

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 mehr…

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 mehr…

2019

  • Fabio Alexander Gratl; Steffen Seckler; Nikola Tchipev; Philipp Neumann; Hans-Joachim Bungartz: Auto-Tuning for Short-range Particle Simulation. PASC, 2019 mehr…
  • 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 mehr…

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 mehr…
  • 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 mehr…

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 mehr…

2022

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

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 mehr…
  • Gratl, Fabio Alexander; Neumann, Philipp: Workshop AutoPas. Simulation Workflows in Materials Modelling (SWiMM 2021), 2021 mehr…

2020

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

2019

  • Gratl, Fabio Alexander: Node-Level Performance for Particle Simulations. (Vortrag / TaLPas Project Meeting 09 Mai 2019) 2019 mehr…
  • Gratl, Fabio Alexander: Leveraging Node-level Performance for Molecular Dynamics Through Auto-tuning. SIAM CSE, 2019MS319 Efficient Computational Methods for Molecular Dynamics mehr…
  • 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 mehr…
  • 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 mehr…
  • 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, mehr…

2018

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

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, mehr…
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