Data Generation: Analysis
Funding Information Agency: DFG
Deposit Date: 2023
Data Generation: Simulation
1 to 8 of 8 Results
May 23, 2024 - Institute of Thermodynamics and Thermal Process Engineering
Fleck, Maximilian; Darouich, Samir; Hansen, Niels; Gross, Joachim, 2024, "Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols", https://doi.org/10.18419/darus-3824, DaRUS, V1
Supplementary material is provided for the Transferable Anisotropic Mie Potential Force Field for Alkanediols, including files for rerunning TURBOMOLE DFT calculations for 1,2-ethanediol and 1,3-propanediol. The dataset includes input files and results for the OCCO and OCCC torsi... |
Mar 28, 2024 - MD Simulations
Jeltsch, Albert; Schnee, Philipp; Pleiss, Jürgen; Weirich, Sara, 2024, "Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate", https://doi.org/10.18419/darus-3815, DaRUS, V1
This data collection contains additional data related to Weirich et al.: "Discovery of new NSD2 non-histone substrates and design of a super-substrate". This includes Modelled structures of NSD2 bound to different peptides Source data of the results of the MD analysis MD simulati... |
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... |
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... |
Sep 6, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Elser, Iris; Schowner, Roman; Stöhr, Laura; Herz, Katharina; Benedikter, Mathis; Sen, Suman; Frey, Wolfgang; Wang, Dongren; Buchmeiser, Michael, 2023, "Replication data of Buchmeiser group for: "Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-3685, DaRUS, V1
All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect... |
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... |
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. |
May 12, 2023 - EXC IntCDC Research Project 12 'Computational Co-Design Framework for Fibre Composite Building Systems'
Gil Pérez, Marta; Mindermann, Pascal; Zechmeister, Christoph; Forster, David; Guo, Yanan; Hügle, Sebastian; Kannenberg, Fabian; Balangé, Laura; Schwieger, Volker; Middendorf, Peter; Bischoff, Manfred; Menges, Achim; Gresser, Götz Theodor; Knippers, Jan, 2023, "Post-processed and normalized data sets for the data processing, analysis, and evaluation methods for co-design of coreless filament-wound structures", https://doi.org/10.18419/darus-3449, DaRUS, V1, UNF:6:3jBvTQjaf+dWmcUwcF1GkA== [fileUNF]
Post-processed and normalized data sets for specimens S2-0, S2-1, S2-2, S2-4, S2-8 and S2-9, used in Figure 14 of the publication: "Data processing, analysis, and evaluation methods for co-design of coreless filament-wound building systems", in the Journal of Computational Design... |
