1 to 10 of 23 Results
Jun 6, 2024 - PN 1-8
Stärk, Philipp; Schlaich, Alexander, 2024, "Supporting Information: Chemical Potential Differences in Nanoscopic Teflon/Kapton Capillaries", https://doi.org/10.18419/darus-3149, DaRUS, V1
This is the repository holding the supporting information for atomistic Molecular Dynamics Simulations of Teflon/Kapton capillaries. Here we list the simulation input scripts as well as analysis scripts. See the README file for more information. |
Mar 19, 2024 - Institute for Stochastics and Applications
Höpfl, Sebastian, 2024, "Percentile Intervals in Bayesian Inference are Overconfident", https://doi.org/10.18419/darus-4068, DaRUS, V1
This dataset demonstrates the difference in calculating percentile Intervals as approximation for Highest Density Intervals (HDI) vs. Highest Posterior Density (HPD). This is demonstrated with extended partial liver resection data (ZeLeR-study, ethical vote: 2018-1246-Material).... |
Nov 17, 2023 - PN 7-6
Kneifl, Jonas; Fehr, Jörg, 2023, "Crash Simulations of a Racing Kart's Structural Frame Colliding against a Rigid Wall", https://doi.org/10.18419/darus-3789, DaRUS, V1
Crash Simulations of a Racing Kart Frame Model This dataset contains results for several crash simulations of the frame of a racing kart colliding against a rigid wall. The wall and the frame itself are modeled as finite element models, implemented in the commercial software tool... |
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... |
Oct 11, 2023 - NMR insights into nanoconfined water using the surface exchange model
Gravelle, Simon, 2023, "Molecular simulation scripts for slit nanopores with tunable hydrophilicity", https://doi.org/10.18419/darus-3732, DaRUS, V1
GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the bash script run_gmx.sh to run GROMACS. See the README.md file. |
Jul 19, 2023 - SFB 1333 A3 - Schlaich group, ICP
Jäger, Henrik, 2023, "Replication Data for: A screening of results on the decay length in concentrated electrolytes", https://doi.org/10.18419/darus-3551, DaRUS, V1
This is the repository holding the inputs for atomistic Molecular Dynamics Simulations of nano-confined mica slabs as well as the outputs for cDFT calculations. Also, scripts for input generation and all analysis tools used are See the README file for more information. |
Jul 1, 2023 - PN 5-1
Huber, Felix; Bürkner, Paul-Christian; Göddeke, Dominik; Schulte, Miriam, 2023, "Experimental Data and Models for "Knowledge-Based Modeling of Simulation Behavior for Bayesian Optimization"", https://doi.org/10.18419/darus-3550, DaRUS, V1, UNF:6:QWTNrKTVYgetwfCBQfeWvw== [fileUNF]
These files contain the data for the OpenDiHu experiments in sections 5.1.3 and 5.2. The settings used for the OpenDiHu simulations are in the opendihu/ folder. The simulation data is in the data/ folder and the used stan models are in the models/ folder. For more details see REA... |
Schmitt, Marvin, 2023, "Replication Code for: Meta-Uncertainty in Bayesian Model Comparison", https://doi.org/10.18419/darus-3514, DaRUS, V1, UNF:6:zUDr3KGdcaDCy+jFtcz8lA== [fileUNF]
This dataverse contains the code for the paper Meta-Uncertainty in Bayesian Model Comparison: https://doi.org/10.48550/arXiv.2210.07278 Note that the R code is structured as a package, thus requiring a local installation with subsequent loading via library(MetaUncertaintyPaper).... |
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 13, 2023 - CHOLife_TUHH_LSP_tracking
Hofmann, Sebastian; Rautenbach, Ryan, 2023, "Code for: Experimental Investigations of the Flow-Following Capabilities and Hydrodynamic Characteristics of Lagrangian Sensor Particles With Respect to Their Centre of Mass", https://doi.org/10.18419/darus-3314, DaRUS, V1
Data for 2D Lagrangian Particle tracking and evaluation for their hydrodynamic characteristics ## Abstract This dataset entails PYTHON code for fluid mechanic evaluation of Lagrangian Particles with the "Consensus-Based tracking with Selective Rejection of Tracklets" (CSRT) algor... |
