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3Portable test run of ESPResSo on EuroHPC systems via EESSI
A. O’Cais, K. Hoste, J. Grad, C. Leeuwen, L. Peeters, S. Kamath, T. Röblitz, R. Topouchian, B. Dröge, P. Neves and 1 other author(s). Procedia computer science, (2025)
2 days ago by @unibiblio
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8Generating quantum reservoir state representations with random matrices
S. Tovey, T. Fellner, C. Holm, and M. Spannowsky. Machine learning, 1 (6): 015068 (2025)
14 days ago by @unibiblio
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1Replication Data and Scripts for: Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors
A. Reinauer, S. Kondrat, and C. Holm. Software, (2026)Related to: Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors. doi: 10.1021/acs.jpcc.5c08058.
14 days ago by @unibiblio
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3How Patch-Induced Charge Regulation Drives Adsorption of Proteins into Polyelectrolyte Brushes
K. Radhakrishnan, and C. Holm. Macromolecules, 58 (24): 13222-13236 (2025)
17 days ago by @unibiblio
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5A Comparison of Bead-Spring and Site-Binding Models for Weak Polyelectrolytes
L. Burth, D. Beyer, and C. Holm. Macromolecular theory and simulations, 34 (4): e00020 (2025)
25 days ago by @unibiblio
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1Replication Data and Scripts for: "Beyond Scaling Curves: Internal Dynamics of Neural Networks Through the NTK Lens"
K. Nikolaou, S. Tovey, S. Krippendorf, and C. Holm. Software, (2026)Related to: Nikolaou, K., Krippendorf, S., Tovey, S., & Holm, C. (2025, July 7). Beyond scaling curves: internal dynamics of neural networks through the NTK lens. arXiv: 2507.05035.
26 days ago by @unibiblio
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1Negative Intrinsic Viscosity in Graphene Nanoparticle Suspensions Induced by Hydrodynamic Slip
A. Agrawal, C. Kamal, S. Gravelle, and L. Botto. ACS nano, 19 (44): 38350-38359 (2025)
27 days ago by @unibiblio
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1Influence of Co-Solutes and Solvents on Diffusion Interaction Parameters in Multicomponent Solutions : New Insights through the Kirkwood-Buff Theory
J. Yang, M. Brosz, N. Adebar, O. Burkert, M. Schulze, and J. Smiatek. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 129 (40): 10381-10391 (2025)
27 days ago by @unibiblio
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1MLIPX : machine-learned interatomic potential eXploration
F. Zills, S. Agarwal, T. Goncalves, S. Gupta, E. Fako, S. Han, I. Müller, C. Holm, and S. De. Journal of physics. Condensed matter, 37 (38): 385901 (2025)
a month ago by @unibiblio
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1Analog of the Carnot engine for fluctuating diffusivity in living cells
Y. Itto. The European physical journal. B, Condensed matter and complex systems, 98 (9): 183 (2025)
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11Intermittent molecular motion and first passage statistics for the NMR relaxation of confined water
S. Gravelle, B. Coasne, C. Holm, and A. Schlaich. Physical review. E, Statistical, nonlinear and soft matter physics, 112 (3): 035502 (2025)
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1Manipulating wetting and pore filling by wall transparency
S. Kondrat, L. Schimmele, A. Giacomello, M. Tasinkevych, and S. Dietrich. Communications Physics, (2025)
2 months ago by @unibiblio
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8Charge Regulation Effects in Weak Polyelectrolyte Complexation
D. Beyer, C. Holm, and Z. Wang. The journal of physical chemistry letters, 16 (32): 8245-8251 (2025)
2 months ago by @unibiblio
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6Collective variables of neural networks : empirical time evolution and scaling laws
S. Tovey, S. Krippendorf, M. Spannowsky, K. Nikolaou, and C. Holm. Machine learning - science and technology, 6 (3): 035021 (2025)
3 months ago by @unibiblio
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4Apax : A Flexible and Performant Framework for the Development of Machine-Learned Interatomic Potentials
M. Schäfer, N. Segreto, F. Zills, C. Holm, and J. Kästner. Journal of chemical information and modeling, 65 (15): 8066-8078 (2025)
3 months ago by @unibiblio
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1Zero shot molecular generation via similarity kernels
R. Elijošius, F. Zills, I. Batatia, S. Norwood, D. Kovács, C. Holm, and G. Csanyi. Nature Communications, (2025)
3 months ago by @unibiblio
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7Intermittent flow paths in biofilms grown in a microfluidic channel
K. Bozkurt, C. Lohrmann, F. Weinhardt, D. Hanke, R. Hopp, R. Gerlach, C. Holm, and H. Class. Advances in water resources, 203 (September): 105018 (2025)
3 months ago by @unibiblio
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1Dataset for: Nanoparticle-Polymer Coupling in Magnetic Gels Studied by Means of Computer Simulations and Experiments
R. Stephan, S. Ranoo, P. Kreissl, C. Pabshettiwar, J. Kubis, C. Holm, A. Schmidt, R. Klitzing, and R. Weeber. Dataset, (2025)
3 months ago by @unibiblio
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1Replication Data and Scripts for: Quantum vs. classical: A comprehensive benchmark study for predicting time series with variational quantum machine learning
T. Fellner, D. Kreplin, S. Tovey, and C. Holm. Software, (2025)Related to: Tobias Fellner, David A Kreplin, Samuel Tovey and Christian Holm (2026). Quantum vs. classical: a comprehensive benchmark study for predicting time series with variational quantum machine learning. Mach. Learn.: Sci. Technol. 7, 010501. doi: 10.1088/2632-2153/ae365f.
3 months ago by @unibiblio
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1Input files and workflow scripts for molecular simulations of salt crystal growth under supersaturation
A. Agrawal, S. Gravelle, C. Holm, and A. Schlaich. Dataset, (2025)Related to: Adyant Agrawal, Simon Gravelle, Christian Holm, and Alexander Schlaich, "Interfacial ion hydration and electrostatics govern salt precipitation and crystal morphology", Journal of Chemical Physics (2025).
3 months ago by @unibiblio
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3Portable test run of ESPResSo on EuroHPC systems via EESSI

8Generating quantum reservoir state representations with random matrices

1Replication Data and Scripts for: Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors

3How Patch-Induced Charge Regulation Drives Adsorption of Proteins into Polyelectrolyte Brushes

5A Comparison of Bead-Spring and Site-Binding Models for Weak Polyelectrolytes

1Replication Data and Scripts for: "Beyond Scaling Curves: Internal Dynamics of Neural Networks Through the NTK Lens"

1Negative Intrinsic Viscosity in Graphene Nanoparticle Suspensions Induced by Hydrodynamic Slip

1Influence of Co-Solutes and Solvents on Diffusion Interaction Parameters in Multicomponent Solutions : New Insights through the Kirkwood-Buff Theory

1MLIPX : machine-learned interatomic potential eXploration

1Analog of the Carnot engine for fluctuating diffusivity in living cells

11Intermittent molecular motion and first passage statistics for the NMR relaxation of confined water

1Manipulating wetting and pore filling by wall transparency

8Charge Regulation Effects in Weak Polyelectrolyte Complexation

6Collective variables of neural networks : empirical time evolution and scaling laws

4Apax : A Flexible and Performant Framework for the Development of Machine-Learned Interatomic Potentials

1Zero shot molecular generation via similarity kernels

7Intermittent flow paths in biofilms grown in a microfluidic channel

1Dataset for: Nanoparticle-Polymer Coupling in Magnetic Gels Studied by Means of Computer Simulations and Experiments

1Replication Data and Scripts for: Quantum vs. classical: A comprehensive benchmark study for predicting time series with variational quantum machine learning

1Input files and workflow scripts for molecular simulations of salt crystal growth under supersaturation

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