Applying ICC* to DNA translocation: Effect of dielectric boundaries. - Stefan Kesselheim; Marcello Sega; Christian Holm (Comput. Phys. Commun., 2011)

Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts. - Axel Arnold; Konrad Breitsprecher; Florian Fahrenberger; Stefan Kesselheim; Olaf Lenz; Christian Holm (Entropy, 2013)

JUWELS Booster - A Supercomputer for Large-Scale AI Research. - Stefan Kesselheim; Andreas Herten; Kai Krajsek; Jan Ebert; Jenia Jitsev; Mehdi Cherti; Michael Langguth; Bing Gong; Scarlet Stadtler; Amirpasha Mozaffari; Gabriele Cavallaro; Rocco Sedona; et al. (ISC Workshops, 2021)

Hearts Gym: Learning Reinforcement Learning as a Team Event. - Jan Ebert; Danimir T. Doncevic; Ramona Kloß; Stefan Kesselheim (Teaching ML, 2022)

A Comparative Study on Generative Models for High Resolution Solar Observation Imaging. - Mehdi Cherti; Alexander Czernik; Stefan Kesselheim; Frederic Effenberger; Jenia Jitsev (CoRR, 2023)

Physics informed Neural Networks applied to the description of wave-particle resonance in kinetic simulations of fusion plasmas. - Jai Kumar; David Zarzoso; Virginie Grandgirard; Jan Ebert; Stefan Kesselheim (CoRR, 2023)

Providing AI expertise as an infrastructure in academia. - Marie Piraud; Andrés Camero; Markus Götz; Stefan Kesselheim; Peter Steinbach; Tobias Weigel (Patterns, 2023)

Tokenizer Choice For LLM Training: Negligible or Crucial? - Mehdi Ali; Michael Fromm 001; Klaudia Thellmann; Richard Rutmann; Max Lübbering; Johannes Leveling; Katrin Klug; Jan Ebert; Niclas Doll; Jasper Schulze Buschhoff; Charvi Jain; Alexander Arno Weber; et al. (NAACL-HLT (Findings), 2024)

Teuken-7B-Base & Teuken-7B-Instruct: Towards European LLMs. - Mehdi Ali; Michael Fromm 001; Klaudia Thellmann; Jan Ebert; Alexander Arno Weber; Richard Rutmann; Charvi Jain; Max Lübbering; Daniel Steinigen; Johannes Leveling; Katrin Klug; Jasper Schulze Buschhoff; et al. (CoRR, 2024)

Time Transfer: On Optimal Learning Rate and Batch Size In The Infinite Data Limit. - Oleg Filatov; Jan Ebert; Jiangtao Wang; Stefan Kesselheim (CoRR, 2024)

OneProt: Towards Multi-Modal Protein Foundation Models. - Klemens Flöge; Srisruthi Udayakumar; Johanna Sommer; Marie Piraud; Stefan Kesselheim; Vincent Fortuin; Stephan Günnemann; Karel J. van der Weg; Holger Gohlke; Alina Bazarova; Erinc Merdivan (CoRR, 2024)

Data Pruning in Generative Diffusion Models. - Rania Briq; Jiangtao Wang; Stefan Kesselheim (CoRR, 2024)

Scaling Image Tokenizers with Grouped Spherical Quantization. - Jiangtao Wang; Zhen Qin; Yifan Zhang; Vincent Tao Hu; Björn Ommer; Rania Briq; Stefan Kesselheim (CoRR, 2024)

MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. - Till Siebenmorgen; Filipe Menezes; Sabrina Benassou; Erinc Merdivan; Kieran Didi; André Santos Dias Mourão; Radoslaw Kitel; Pietro Liò; Stefan Kesselheim; Marie Piraud; Fabian J. Theis; Michael Sattler; et al. (Nat. Comput. Sci., 2024)

The Artificial Scientist: in-Transit Machine Learning of Plasma Simulations. - Jeffrey Kelling; Vicente Bolea; Michael Bussmann; Ankush Checkervarty; Alexander Debus; Jan Ebert; Greg Eisenhauer; Vineeth Gutta; Stefan Kesselheim; Scott Klasky; Vedhas Pandit; Richard Pausch; et al. (IPDPS, 2025)

The Artificial Scientist - in-transit Machine Learning of Plasma Simulations. - Jeffrey Kelling; Vicente Bolea; Michael Bussmann; Ankush Checkervarty; Alexander Debus; Jan Ebert; Greg Eisenhauer; Vineeth Gutta; Stefan Kesselheim; Scott Klasky; Richard Pausch; Norbert Podhorszki; et al. (CoRR, 2025)

Learnable polynomial, trigonometric, and tropical activations. - Ismail Khalfaoui Hassani; Stefan Kesselheim (CoRR, 2025)

Lossy Neural Compression for Geospatial Analytics: A Review. - Carlos Gomes; Isabelle Wittmann; Damien Robert 002; Johannes Jakubik; Tim Reichelt; Michele Martone; Stefano Maurogiovanni; Rikard Vinge; Jonas Hurst; Erik Scheurer; Rocco Sedona; Thomas Brunschwiler; et al. (CoRR, 2025)

Memory and Bandwidth are All You Need for Fully Sharded Data Parallel. - Jiangtao Wang; Jan Ebert; Oleg Filatov; Stefan Kesselheim (CoRR, 2025)

Training LLMs on HPC Systems: Best Practices from the OpenGPT-X Project. - Carolin Penke; Chelsea Maria John; Jan Ebert; Stefan Kesselheim; Andreas Herten (CoRR, 2025)