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1 to 10 of 16 Results

Replication Data for: Coupling ESPResSo and waLBerla for scalable soft matter simulations with hydrodynamic interactions Apr 1, 2026 Grad, Jean-Noël; Tischler, Ingo; Reinauer, Alexander; Kobayashi, Hideki; Kuron, Michael; Hennig, Frederik; Holzer, Markus; Santos Neves, Pedro Miguel; Kamath, Satish Santhosh; Holm, Christian; Weeber, Rudolf, 2026, "Replication Data for: Coupling ESPResSo and waLBerla for scalable soft matter simulations with hydrodynamic interactions", https://doi.org/10.18419/DARUS-5827, DaRUS, V1, UNF:6:KByfmZAwKeYFysqgpoexBQ== [fileUNF] Build scripts, benchmark scripts, raw data, and analysis scripts accompanying the manuscript "Coupling ESPResSo and waLBerla for scalable soft matter simulations with hydrodynamic interactions".
Replication Data and Scripts for: Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors Feb 24, 2026 Reinauer, Alexander; Kondrat, Svyatoslav; Holm, Christian, 2026, "Replication Data and Scripts for: Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors", https://doi.org/10.18419/DARUS-5537, DaRUS, V1, UNF:6:QYhsar9LPd25HIHyXs7iGg== [fileUNF] Simulation data and scripts accompanying the paper "Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors". This dataset contains videos, plot_data and the scripts from MD-Simulations of asymmetric ionic liquid models in a plate-capacitor. For details about the files, please refer to the README.
Replication Data and Scripts for: "Beyond Scaling Curves: Internal Dynamics of Neural Networks Through the NTK Lens" Feb 9, 2026 Nikolaou, Konstantin; Tovey, Samuel; Krippendorf, Sven; Holm, Christian, 2026, "Replication Data and Scripts for: "Beyond Scaling Curves: Internal Dynamics of Neural Networks Through the NTK Lens"", https://doi.org/10.18419/DARUS-5717, DaRUS, V1 The scripts provided here are for reproducing the results and plots of "Beyond Scaling Curves: Internal Dynamics of Neural Networks Through the NTK Lens" (https://doi.org/10.48550/arXiv.2507.05035)
Replication Data and Scripts for: Quantum vs. classical: A comprehensive benchmark study for predicting time series with variational quantum machine learning Dec 2, 2025 Fellner, Tobias; Kreplin, David; Tovey, Samuel; Holm, Christian, 2025, "Replication Data and Scripts for: Quantum vs. classical: A comprehensive benchmark study for predicting time series with variational quantum machine learning", https://doi.org/10.18419/DARUS-5559, DaRUS, V1, UNF:6:/KCneqwPSHA/bOwlAibpVQ== [fileUNF] The data and scripts provided here are for reproducing the results of "Quantum vs. classical: A comprehensive benchmark study for predicting time series with variational quantum machine learning" Mach. Learn.: Sci. Technol. 7 010501 (2026) (doi: 10.1088/2632-2153/ae365f). See the README.md file for details and instructions.
Replication Data and Scripts for: A lattice Boltzmann approach for modeling coupled evaporation/precipitation processes in porous media Oct 28, 2025 Reinauer, Alexander; Oberer, Louis; Schlaich, Alexander; Holm, Christian, 2025, "Replication Data and Scripts for: A lattice Boltzmann approach for modeling coupled evaporation/precipitation processes in porous media", https://doi.org/10.18419/DARUS-5389, DaRUS, V1 Simulation data and scripts accompanying the paper "A lattice Boltzmann approach for modeling coupled evaporation/precipitation processes in porous media". This dataset contains videos, the corresponding data as well as the scripts from evaporation-induced precipitation simulations in model porous media using the lattice Boltzmann method. For detai...
Replication Scripts for: "Collective variables of neural networks: empirical time evolution and scaling laws" Jul 25, 2025 Tovey, Samuel; Nikolaou, Konstantin; Krippendorf, Sven; Holm, Christian; Spannowsky, Michael, 2025, "Replication Scripts for: "Collective variables of neural networks: empirical time evolution and scaling laws"", https://doi.org/10.18419/DARUS-5175, DaRUS, V1 The scripts provided here are for reproducing the results and plots of "Collective variables of neural networks: empirical time evolution and scaling laws" (https://doi.org/10.1088/2632-2153/adee76)
Replication Scripts for: "Generating Quantum Reservoir State Representations with Random Matrices" Jan 30, 2025 Fellner, Tobias; Tovey, Samuel; Holm, Christian; Spannowsky, Michael, 2025, "Replication Scripts for: "Generating Quantum Reservoir State Representations with Random Matrices"", https://doi.org/10.18419/DARUS-4742, DaRUS, V1, UNF:6:nD61gsDlXntC4Nuq53H6kQ== [fileUNF] The scripts provided here are for reproducing the results of "Generating Quantum Reservoir State Representations with Random Matrices" (https://doi.org/10.48550/arXiv.2404.07278). See the README.md file for details and instructions.
Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining" Oct 16, 2024 Gravelle, Simon; Beyer, David; Brito, Mariano E.; Schlaich, Alexander; Holm, Christian, 2024, "Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"", https://doi.org/10.18419/DARUS-4494, DaRUS, V1 Simulations and data analysis scripts for the publication "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining". Within gromacs-inputs, two types of GROMACS simulation scripts are provided: all-atom and united-atoms. In both cases, the system is a liquid propane bulk system. See the README file for...
Replication Data for: Emergence of Chemotactic Strategies with Multi-Agent Reinforcement Learning Aug 2, 2024 Tovey, Samuel; Lohrmann, Christoph; Holm, Christian, 2024, "Replication Data for: Emergence of Chemotactic Strategies with Multi-Agent Reinforcement Learning", https://doi.org/10.18419/DARUS-4431, DaRUS, V1 Scripts used in the experiments and analysis presented in the paper.
Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials Apr 11, 2024 Finkbeiner, Jan; Tovey, Samuel; Holm, Christian, 2024, "Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials", https://doi.org/10.18419/DARUS-4099, DaRUS, V1 Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data selection scripts for the neural networks, scripts for running and analysing the production simulations with the trained potentials.

Replication Data for: Coupling ESPResSo and waLBerla for scalable soft matter simulations with hydrodynamic interactions

Apr 1, 2026

Grad, Jean-Noël; Tischler, Ingo; Reinauer, Alexander; Kobayashi, Hideki; Kuron, Michael; Hennig, Frederik; Holzer, Markus; Santos Neves, Pedro Miguel; Kamath, Satish Santhosh; Holm, Christian; Weeber, Rudolf, 2026, "Replication Data for: Coupling ESPResSo and waLBerla for scalable soft matter simulations with hydrodynamic interactions", https://doi.org/10.18419/DARUS-5827, DaRUS, V1, UNF:6:KByfmZAwKeYFysqgpoexBQ== [fileUNF]

Build scripts, benchmark scripts, raw data, and analysis scripts accompanying the manuscript "Coupling ESPResSo and waLBerla for scalable soft matter simulations with hydrodynamic interactions".

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

Feb 24, 2026

Reinauer, Alexander; Kondrat, Svyatoslav; Holm, Christian, 2026, "Replication Data and Scripts for: Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors", https://doi.org/10.18419/DARUS-5537, DaRUS, V1, UNF:6:QYhsar9LPd25HIHyXs7iGg== [fileUNF]

Simulation data and scripts accompanying the paper "Asymmetric Ionic Liquids for Enhanced Performance of Nanoporous Electrical Double Layer Capacitors". This dataset contains videos, plot_data and the scripts from MD-Simulations of asymmetric ionic liquid models in a plate-capacitor. For details about the files, please refer to the README.

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

Feb 9, 2026

Nikolaou, Konstantin; Tovey, Samuel; Krippendorf, Sven; Holm, Christian, 2026, "Replication Data and Scripts for: "Beyond Scaling Curves: Internal Dynamics of Neural Networks Through the NTK Lens"", https://doi.org/10.18419/DARUS-5717, DaRUS, V1

The scripts provided here are for reproducing the results and plots of "Beyond Scaling Curves: Internal Dynamics of Neural Networks Through the NTK Lens" (https://doi.org/10.48550/arXiv.2507.05035)

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

Dec 2, 2025

Fellner, Tobias; Kreplin, David; Tovey, Samuel; Holm, Christian, 2025, "Replication Data and Scripts for: Quantum vs. classical: A comprehensive benchmark study for predicting time series with variational quantum machine learning", https://doi.org/10.18419/DARUS-5559, DaRUS, V1, UNF:6:/KCneqwPSHA/bOwlAibpVQ== [fileUNF]

The data and scripts provided here are for reproducing the results of "Quantum vs. classical: A comprehensive benchmark study for predicting time series with variational quantum machine learning" Mach. Learn.: Sci. Technol. 7 010501 (2026) (doi: 10.1088/2632-2153/ae365f). See the README.md file for details and instructions.

Replication Data and Scripts for: A lattice Boltzmann approach for modeling coupled evaporation/precipitation processes in porous media

Oct 28, 2025

Reinauer, Alexander; Oberer, Louis; Schlaich, Alexander; Holm, Christian, 2025, "Replication Data and Scripts for: A lattice Boltzmann approach for modeling coupled evaporation/precipitation processes in porous media", https://doi.org/10.18419/DARUS-5389, DaRUS, V1

Simulation data and scripts accompanying the paper "A lattice Boltzmann approach for modeling coupled evaporation/precipitation processes in porous media". This dataset contains videos, the corresponding data as well as the scripts from evaporation-induced precipitation simulations in model porous media using the lattice Boltzmann method. For detai...

Replication Scripts for: "Collective variables of neural networks: empirical time evolution and scaling laws"

Jul 25, 2025

Tovey, Samuel; Nikolaou, Konstantin; Krippendorf, Sven; Holm, Christian; Spannowsky, Michael, 2025, "Replication Scripts for: "Collective variables of neural networks: empirical time evolution and scaling laws"", https://doi.org/10.18419/DARUS-5175, DaRUS, V1

The scripts provided here are for reproducing the results and plots of "Collective variables of neural networks: empirical time evolution and scaling laws" (https://doi.org/10.1088/2632-2153/adee76)

Replication Scripts for: "Generating Quantum Reservoir State Representations with Random Matrices"

Jan 30, 2025

Fellner, Tobias; Tovey, Samuel; Holm, Christian; Spannowsky, Michael, 2025, "Replication Scripts for: "Generating Quantum Reservoir State Representations with Random Matrices"", https://doi.org/10.18419/DARUS-4742, DaRUS, V1, UNF:6:nD61gsDlXntC4Nuq53H6kQ== [fileUNF]

The scripts provided here are for reproducing the results of "Generating Quantum Reservoir State Representations with Random Matrices" (https://doi.org/10.48550/arXiv.2404.07278). See the README.md file for details and instructions.

Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"

Oct 16, 2024

Gravelle, Simon; Beyer, David; Brito, Mariano E.; Schlaich, Alexander; Holm, Christian, 2024, "Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"", https://doi.org/10.18419/DARUS-4494, DaRUS, V1

Simulations and data analysis scripts for the publication "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining". Within gromacs-inputs, two types of GROMACS simulation scripts are provided: all-atom and united-atoms. In both cases, the system is a liquid propane bulk system. See the README file for...

Replication Data for: Emergence of Chemotactic Strategies with Multi-Agent Reinforcement Learning

Aug 2, 2024

Tovey, Samuel; Lohrmann, Christoph; Holm, Christian, 2024, "Replication Data for: Emergence of Chemotactic Strategies with Multi-Agent Reinforcement Learning", https://doi.org/10.18419/DARUS-4431, DaRUS, V1

Scripts used in the experiments and analysis presented in the paper.

Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials

Apr 11, 2024

Finkbeiner, Jan; Tovey, Samuel; Holm, Christian, 2024, "Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials", https://doi.org/10.18419/DARUS-4099, DaRUS, V1

Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data selection scripts for the neural networks, scripts for running and analysing the production simulations with the trained potentials.

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