AutoPas: Auto-Tuning for Particle Simulations. - Fabio Alexander Gratl; Steffen Seckler; Nikola Tchipev; Hans-Joachim Bungartz; Philipp Neumann (IPDPS Workshops, 2019)

TweTriS: Twenty trillion-atom simulation. - Nikola Tchipev; Steffen Seckler; Matthias Heinen; Jadran Vrabec; Fabio Alexander Gratl; Martin Horsch; Martin Bernreuther; Colin W. Glass; Christoph Niethammer; Nicolay Hammer; Bernd Krischok; Michael Resch 001; et al. (Int. J. High Perform. Comput. Appl., 2019)

AutoPas in ls1 mardyn: Massively parallel particle simulations with node-level auto-tuning. - Steffen Seckler; Fabio Alexander Gratl; Matthias Heinen; Jadran Vrabec; Hans-Joachim Bungartz; Philipp Neumann (J. Comput. Sci., 2021)

N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas. - Fabio Alexander Gratl; Steffen Seckler; Hans-Joachim Bungartz; Philipp Neumann (Comput. Phys. Commun., 2022)

Investigation of the Robustness of Neural Density Fields. - Jonas Schuhmacher; Fabio Alexander Gratl; Dario Izzo; Pablo Gómez (CoRR, 2023)

Towards auto-tuning Multi-Site Molecular Dynamics simulations with AutoPas. - Samuel James Newcome; Fabio Alexander Gratl; Philipp Neumann; Hans-Joachim Bungartz (J. Comput. Appl. Math., 2023)

Efficient Polyhedral Gravity Modeling in Modern C++ and Python. - Jonas Schuhmacher; Emmanuel Blazquez; Fabio Alexander Gratl; Dario Izzo; Pablo Gómez (J. Open Source Softw., 2024)

Algorithm Selection in Short-Range Molecular Dynamics Simulations. - Samuel James Newcome; Fabio Alexander Gratl; Manuel Lerchner; Abdulkadir Pazar; Manish Kumar Mishra; Hans-Joachim Bungartz (ICCS (4), 2025)

The Multiple Time-Stepping Method for 3-Body Interactions in High Performance Molecular Dynamics Simulations. - David Martin; Samuel James Newcome; Markus Mühlhäußer; Manish Kumar Mishra; Fabio Alexander Gratl; Hans-Joachim Bungartz (CoRR, 2025)