ESPResSo - an extensible simulation package for research on soft matter systems. - Hans-Jörg Limbach; Axel Arnold; Bernward Mann; Christian Holm (Comput. Phys. Commun., 2006)

Removal of spurious self-interactions in particle-mesh methods. - Vincent Ballenegger; Jan Josep Cerdà; Christian Holm (Comput. Phys. Commun., 2011)

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

Magnetic Flux Topology of 2D Point Dipoles. - Sven Bachthaler; Filip Sadlo; Rudolf Weeber; Sofia Kantorovich; Christian Holm; Daniel Weiskopf (Comput. Graph. Forum, 2012)

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

Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide. - Ganesh Sivaraman; Anand Narayanan Krishnamoorthy; Matthias Baur; Christian Holm; Marius Stan; Gábor Csányi; Chris J. Benmore; Álvaro Vázquez-Mayagoitia (CoRR, 2019)

Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the P2NFFT method. - Rudolf Weeber; Franziska Nestler; Florian Weik; Michael Pippig; Daniel Potts; Christian Holm (J. Comput. Phys., 2019)

A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems. - Ingo Tischler; Florian Weik; Robert Kaufmann; Michael Kuron; Rudolf Weeber; Christian Holm (J. Comput. Sci., 2022)

Robustness of quantum algorithms against coherent control errors. - Julian Berberich; Daniel Fink; Christian Holm (CoRR, 2023)

Environmental effects on emergent strategy in micro-scale multi-agent reinforcement learning. - Samuel Tovey; David Zimmer; Christoph Lohrmann; Tobias Merkt; Simon Koppenhoefer; Veit-Lorenz Heuthe; Clemens Bechinger; Christian Holm (CoRR, 2023)

Training robust and generalizable quantum models. - Julian Berberich; Daniel Fink; Daniel Pranjic; Christian Tutschku; Christian Holm (CoRR, 2023)

Towards a phenomenological understanding of neural networks: data. - Samuel Tovey; Sven Krippendorf; Konstantin Nikolaou; Christian Holm (Mach. Learn. Sci. Technol., 2023)

MDSuite: comprehensive post-processing tool for particle simulations. - Samuel Tovey; Fabian Zills; Francisco Torres-Herrador; Christoph Lohrmann; Marco Brückner; Christian Holm (J. Cheminformatics, 2023)

ZnTrack - Data as Code. - Fabian Zills; Moritz Schäfer; Samuel Tovey; Johannes Kästner; Christian Holm (CoRR, 2024)

Zero Shot Molecular Generation via Similarity Kernels. - Rokas Elijosius; Fabian Zills; Ilyes Batatia; Sam Walton Norwood; Dávid Péter Kovács; Christian Holm; Gábor Csányi (CoRR, 2024)

Generating Reservoir State Descriptions with Random Matrices. - Samuel Tovey; Christian Holm; Michael Spannowsky (CoRR, 2024)

SwarmRL: Building the Future of Smart Active Systems. - Samuel Tovey; Christoph Lohrmann; Tobias Merkt; David Zimmer; Konstantin Nikolaou; Simon Koppenhoefer; Anna Bushmakina; Jonas Scheunemann; Christian Holm (CoRR, 2024)

Collective variables of neural networks: empirical time evolution and scaling laws. - Samuel Tovey; Sven Krippendorf; Michael Spannowsky; Konstantin Nikolaou; Christian Holm (CoRR, 2024)

Emergence of chemotactic strategies with multi-agent reinforcement learning. - Samuel Tovey; Christoph Lohrmann; Christian Holm (Mach. Learn. Sci. Technol., 2024)

Apax: A Flexible and Performant Framework for the Development of Machine-Learned Interatomic Potentials. - Moritz Schäfer; Nico Segreto; Fabian Zills; Christian Holm; Johannes Kästner (J. Chem. Inf. Model., 2025)

Generating quantum reservoir state representations with random matrices. - Samuel Tovey; Tobias Fellner; Christian Holm; Michael Spannowsky (Mach. Learn. Sci. Technol., 2025)

The interplay of robustness and generalization in quantum machine learning. - Julian Berberich; Tobias Fellner; Christian Holm (CoRR, 2025)

Beyond Scaling Curves: Internal Dynamics of Neural Networks Through the NTK Lens. - Konstantin Nikolaou; Sven Krippendorf; Samuel Tovey; Christian Holm (CoRR, 2025)