1 to 10 of 13 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 14, 2023 - Materials Design
Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/darus-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF]
Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentia... |
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... |
Aug 9, 2023 - Institute for Theoretical Physics IV
Speck, Thomas; Lemcke, Simon; Wand, Michael; Appeldorn, Jörn H., 2023, "Supplementary material for 'Towards a structural identification of metastable molecular conformations'", https://doi.org/10.18419/darus-3333, DaRUS, V2
This dataset contains simulation input files for GROMACS (topologies, index, simulation parameters, starting frames, run script) to be able to reproduce the data in the mentioned publication. The generated simulation trajectories are given and some processed data: The end-to-end... |
Aug 4, 2023 - Walking Model
Bunz, Elsa; Häufle, Daniel F. B.; Remy, C. David; Schmitt, Syn, 2023, "Experimental results for Bioinspired Preactivation Reflex Increases Robustness of Walking on Rough Terrain", https://doi.org/10.18419/darus-3492, DaRUS, V1
This dataset contains the experimental results and postprocessing script (Matlab, Mathworks, Natick, MA) to obtain the plots and results described in the paper "Bioinspired Preactivation Reflex Increases Robustness of Walking on Rough Terrain" by Elsa K. Bunz, Daniel F.B. Haeufle... |
Aug 2, 2023 - Institute of Aerospace Thermodynamics
Steigerwald, Jonas, 2023, "Numerical Data of Marangoni Test Case from "Visual Analysis of Interface Deformation in Multiphase Flow"", https://doi.org/10.18419/darus-3143, DaRUS, V1
This dataset contains the numerical data of the Marangoni convection test case from the study "Visual Analysis of Interface Deformation in Multiphase Flow". In the two investigated scenarios, a water drop coalesce with an ethanol drop. In one case, solutocapillary driven flow phe... |
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. |
Pollinger, Theresa, 2023, "Replication Data for: Leveraging the compute power of two HPC systems for higher-dimensional grid-based simulations with the widely-distributed sparse grid combination technique", https://doi.org/10.18419/darus-3393, DaRUS, V1
We ran different fractions of the combination technique scenario described in the publication, also widely-distributed between the two machines SuperMUC-NG (file suffix `_ng`) and Hawk (file suffix `_hawk`). The dataset contains input files to generate the scenarios on the respec... |
May 26, 2023 - Materials Design
Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1
Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f... |
