1 to 10 of 10 Results
Dec 22, 2023 - SFB 1333 C6 - Holm group, ICP
Tischler, Ingo; Schlaich, Alexander; Holm, Christian, 2023, "Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"", https://doi.org/10.18419/darus-3642, DaRUS, V1
The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: compressed (tar) text... |
Dec 11, 2023 - C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm, Datta: Influence of bacterial motility and hydrodynamics on phage bacteria encounters", https://doi.org/10.18419/darus-3836, DaRUS, V1
Code and Data for "Influence of bacterial motility and hydrodynamics on phage bacteria encounters". For details, see README.md |
Yang, Jie; Kondrat, Svyatoslav; Lian, Cheng; Liu, Honglai; Schlaich, Alexander; Holm, Christian, 2023, "Replication Data for: Solvent Effects on Structure and Screening in Confined Electrolytes", https://doi.org/10.18419/darus-3743, DaRUS, V1, UNF:6:KtlgApor9/WXUtTKp63TBw== [fileUNF]
This is the repository holding the data and python scripts we used for creating the corresponding figures in the publication. Tabular files include the ion and solvent (for solvent-explicit simulations) densiies for a hard-sphere primitive electrolyte model confined between two c... |
Aug 24, 2023 - Holm group
Tovey, Samuel; Krippendorf, Sven; Nikolaou, Konstantin; Holm, Christian, 2023, "Scripts and Data for "Towards a phenomenological understanding of neural networks: data"", https://doi.org/10.18419/darus-3691, DaRUS, V1
Data and scripts to reproduce the plots in the paper. Data is separated into two directories: Surfaces: All data for rebuilding the surfaces rnd-plots: Data to reproduce the rnd plots The scripts, once run, will produce the plots in the paper. |
Aug 15, 2023 - C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm: A novel model for biofilm initiation in porous media flow", https://doi.org/10.18419/darus-3680, DaRUS, V1
Code and Data for "A novel model for biofilm initiation in porous media flow". For details, see README.md |
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm: Optimal motility strategies for self-propelled agents to explore porous media", https://doi.org/10.18419/darus-3608, DaRUS, V1
Code, Data and additional Material for "Optimal motility strategies for self-propelled agents to explore porous media". For details, see README.md |
Jun 29, 2023 - Holm group
Beyer, David; Holm, Christian, 2023, "Scripts and Data for "A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase"", https://doi.org/10.18419/darus-3255, DaRUS, V1
Simulation scripts, simulation data and plotting scripts for the paper "A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase". More information can be found in README.md. Some of the subdirec... |
Mar 13, 2023 - Holm group
Gravelle, Simon; Beyer, David; Brito, Mariano E.; Schlaich, Alexander; Holm, Christian, 2023, "Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"", https://doi.org/10.18419/darus-3313, DaRUS, V1
Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two types of simulation scripts: all-atom simulation (GROMACS) and coarse-grained simulations (ESPRESSO). In b... |
Mar 9, 2023 - NMR investigation of water confined by salt interface
Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for slit nanopores", https://doi.org/10.18419/darus-3180, DaRUS, V1
GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration with a given salt concentration can be generated using the Python script ConfigurationGenerator.py, and s... |
Mar 8, 2023 - NMR investigation of water confined by salt interface
Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for bulk solutions", https://doi.org/10.18419/darus-3179, DaRUS, V1
GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script ConfigurationGenerator.py, and successive GROMACS runs can be performed by running the runall.sh Bash s... |
