Publications

Jonathan Wurst, Maximilian Dreisbach, Alexander Stroh, Jochen Kriegseis, and Kathrin Schulte. PLIC-based contact line modeling for simulations of droplet impact onto smooth and structured surfaces. International Journal of Multiphase Flow, (200):105725, Elsevier BV, June 2026. [PUMA: PN1 PN1-2(II) EXC2075 updated] URL

Tobias Fellner, Jonas Merklinger, and Christian Holm. Multivariate quantum reservoir computing with discrete and continuous variable systems. 2026. [PUMA: EXC2075 PN8 PN8-3 updated] URL

Stefania Scheurer, Philipp Reiser, Tim Brünnette, Wolfgang Nowak, Anneli Guthke, and Paul-Christian Bürkner. UA-SABI: Uncertainty-aware surrogate-based amortized Bayesian inference for computationally expensive subsurface flow and transport models. Bologna, Italy, June 2026. [PUMA: EXC2075 PN6-2(II) PN5 updated]

Stefania Scheurer, Riccardo Frenner, Tim Brünnette, Sergey Oladyshkin, and Wolfgang Nowak. Efficient Confidence Interval Computation for Physics-Aware Machine Learning of Diffusion–Sorption Models. Frontiers in Water: Advances in Model-Data Fusion for Water Resources Problems, 2026 (accepted). [PUMA: EXC2075 PN5 updated PN5-6(II)]

Jonas Julius Grün, David Beyer, Peter Johannes Mons, Sebastian Seitel, Nora Fribiczer, Purushottam Poudel, Nicklas Könemann, Lynn Kendra Renate Jagna Zank, Paul Fabio Zylla, Peter Košovan, Sebastian Seiffert, Christian Holm, and Felix Helmut Schacher. Triggered Dissolution of Electrostatically Crosslinked Hydrogels from Star‐Shaped Polyampholytic Block Copolymers. Macromolecular Chemistry and Physics, (227)4Wiley, February 2026. [PUMA: EXC2075 curated] URL

Alexander Reinauer, Svyatoslav Kondrat, and Christian Holm. Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors. The Journal of Physical Chemistry C, (130)10:3713–3720, American Chemical Society (ACS), February 2026. [PUMA: EXC2075 curated] URL

David Beyer, and Christian Holm. Charge Regulation and Swelling of Weak Polyelectrolyte Nanogels in Divalent Salt Solutions. Macromolecular Chemistry and Physics, (227)5Wiley, March 2026. [PUMA: EXC2075 PN3 PN3-3(II) curated] URL

N. Chatzikiriakos, R. Strässer, F. Allgöwer, and A. Iannelli. End-to-end guarantees for indirect data-driven control of bilinear systems with finite stochastic data. Automatica, (187):112908, 2026. [PUMA: EXC2075 PN4 PN4-10 curated]

Samir Darouich, Vinh Tong, Tanja Bien, Johannes Kästner, and Mathias Niepert. Adaptive Transition-State Refinement with Learned Equilibrium Flows. J. Chem. Inf. Model., (66):2154-2165, 2026. [PUMA: EXC2075 PN13 curated] URL

Moritz R. Schäfer, and Johannes Kästner. Enhanced Representation-Based Sampling for the Efficient Generation of Data Sets for Machine-Learned Interatomic Potentials. J. Chem. Theory Comput., (22):1947-1957, 2026. [PUMA: EXC2075 PN3 PN6 curated] URL

David Beyer, Christian Holm, and Zhen-Gang Wang. A Sequence-Specific Theory for Charge-Regulating IDPs. American Chemical Society (ACS), February 2026. [PUMA: EXC2075 curated] URL

Konstantin Nikolaou, Sven Krippendorf, Samuel Tovey, and Christian Holm. Beyond scaling curves: internal dynamics of neural networks through the NTK lens. Machine Learning: Science and Technology, (7)2:025005, IOP Publishing, February 2026. [PUMA: EXC2075 PN6 PN6-5 curated] URL

Nils Wildt, Daniel M. Tartakovsky, Sergey Oladyshkin, and Wolfgang Nowak. CODE: a global approach to ODE learning. Journal of Machine Learning for Modeling and Computing, 2026 (accepted). [PUMA: EXC2075 PN5 PNX curated]

Stefania Scheurer, Riccardo Frenner, Tim Brünnette, Sergey Oladyshkin, and Wolfgang Nowak. Efficient Confidence Interval Computation for Physics-Aware Machine Learning of Diffusion–Sorption Models. Frontiers in Water: Advances in Model-Data Fusion for Water Resources Problems, 2026 (submitted). [PUMA: EXC2075 PN6 PN6-5(II) curated]

Ishani Banerjee, Anneli Guthke, Cole J.C. Van de Ven, Kevin G. Mumford, and Wolfgang Nowak. A framework for objectively comparing competing invasion percolation models based on highly-resolved image data. PLOS ONE, 2026 (accepted). [PUMA: EXC2075 PN5 curated]

Stefan Schiffer, and Espen Xylander. A variational view on constitutive laws in parabolic problems. Advances in Calculus of Variations, Walter de Gruyter GmbH, January 2026. [PUMA: EXC2075 PN3 PN3-13 curated] URL

Manuel Álvarez Chaves, Eduardo Acuña Espinoza, Uwe Ehret, and Anneli Guthke. When Physics Gets in the Way: An Entropy-based Evaluation of Conceptual Constraints in Hybrid Hydrological Models. Hydrology and Earth System Sciences, (30)3:629--658, 2026. [PUMA: EXC2075 PN6 PN6A-4 curated]

Nicolas Chatzikiriakos, Bowen Song, Philipp Rank, and Andrea Iannelli. Hidden convexity in active learning: A convexified online input design for ARX systems. 2025 IEEE 64th Conference on Decision and Control (CDC), 63-68, Rio de Janeiro, Brasil, 2025. [PUMA: EXC2075 PN4 PN4-10 curated]

Jean-Noël Grad, Gerasimos Chourdakis, Bernd Flemisch, Christian Holm, Leon Keim, Benjamin Uekermann, and Rudolf Weeber. Organizing software community workshops: Experiences from three independent simulation software projects. In René Caspart, Florian Goth, Oliver Karras, Jan Linxweiler, Florian Thiery, and Joachim Wuttke (Eds.), Electronic Communications of the EASST, (85)December 2025. [PUMA: EXC2075 PN3 PN3-12 curated]

Sebastian Hoschek, Philipp Rodegast, Jakob Gesell, Jonas Scheid, and Jörg Fehr. Effiziente Modellierung flexibler Robotersysteme zur Echtzeitsimulation am Beispiel eines Leichtbauroboters. at - Automatisierungstechnik, (74)1:61–73, Walter de Gruyter GmbH, January 2026. [PUMA: EXC2075 METEOR_3 PNX curated] URL