71 to 80 of 732 Results
Feb 3, 2025 - SFB 1333 C4 - Kästner group, ITheoC
Haid, Severin; Kästner, Johannes, 2025, "Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes", https://doi.org/10.18419/DARUS-4734, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and preceding CREST calculations for the first monomer along the mechanism described in the referenced paper. The calculations for each system can be found in the directory named after the monomer and the subdirectory named after the catalyst. All structures a... |
Khurshid, Hamza; Polukhov, Elten; Keip, Marc-André, 2025, "Mixed variational formulation and finite-element implementation of second-order poro-elasticity: Datasets", https://doi.org/10.18419/DARUS-4485, DaRUS, V1
The datasets provided here are associated with our publication "Mixed variational formulation and finite-element implementation of second-order poro-elasticity". The main idea of the work is to develop a working model for second gradient poro-elasticity. This includes a mixed-variational formulation and finite-element formulation. The results are g... |
Jan 28, 2025 - Institute of Aerodynamics and Gas Dynamics
Gagnon, Louis; Lutz, Thorsten, 2024, "Data for: Transforming Laser-Scanned 750 kW Turbine Surface Geometry Data into Smooth CAD for CFD Simulations", https://doi.org/10.18419/DARUS-3859, DaRUS, V4
Note for access: The data is available to anyone interested, but in order to monitor access, we ask that interested users request access by logging in by using the account of their academic institution, selecting the files they want, and clicking "Request Access" If you do not have access through your institution, please contact us by clicking "Con... |
Jan 28, 2025 - Reusable Software
Yangulova, Evgenia; Hirsch, Markus; Holland, Saskia; Iglezakis, Dorothea, 2025, "Software License Ontology", https://doi.org/10.18419/DARUS-4738, DaRUS, V1
Ontology defining 39 Open Source Software Licenses with their license type (Copyleft. Permissive or Public Domain), their conditions (hasCondition), limitations (hasLimitation), permissions (hasPermission) and recommended use (isRecommendedFor). In addition, there are compatibility relations defined between license types (isBackwardCompatibleWith,... |
Jan 27, 2025 - Reactive Flows
Gärtner, Jan Wilhelm, 2025, "Replication Data for: mmcDropletSprayFoam v2406", https://doi.org/10.18419/DARUS-4623, DaRUS, V1
Validation Data for mmcDropletSprayFoam This data set contains the DNS and LES cases for the double shear layer setup used to validate the mmcDropletSprayFoam solver of the mmcFoam v2406 version. Requirements To run the simulations you need to download and compile the mmcFoam software based on OpenFOAM v2312. This software is open-source upon regis... |
Jan 24, 2025 - Institute for Reactive Flows (IRST)
Gärtner, Jan Wilhelm, 2025, "Replication Data for: mmcDNSFoam v2406", https://doi.org/10.18419/DARUS-4648, DaRUS, V1
Validation Data for mmcDNSFoam This data set contains the DNS and LES cases for the double shear layer setup used to validate the mmcDNSFoam solver of the mmcFoam v2406 version. Requirements To run the simulations, you need to download and compile the mmcFoam software based on OpenFOAM v2406. This software is open-source upon registration. If you w... |
Jan 24, 2025 - Institute for Reactive Flows (IRST)
Gärtner, Jan Wilhelm, 2025, "Replication Data for: mmcFoam-v2306", https://doi.org/10.18419/DARUS-4652, DaRUS, V1
Data for mmcFoam v2306 Test Runs This data set contains different cases for validation of the mmcFoam-v2306 version. While tested for mmcFoam-2306 and OpenFOAM-v2306 they serve as a test basis for future code development and validation. Requirements To run the simulations, you need to download and compile the mmcFoam software based on OpenFOAM v230... |
Jan 24, 2025 - SFB 1333 A3 - Lotsch group, MPI-FKF
Heck, Fabian; Grunenberg, Lars; Schnabel, Nadine; Heilmaier, Amelie; Sottmann, Thomas; Yao, Liang; Lotsch, Bettina V., 2025, "Replication Data for: Solvothermal Template-Induced Hierarchical Porosity in Covalent Organic Frameworks: A Pathway to Enhanced Diffusivity", https://doi.org/10.18419/DARUS-4732, DaRUS, V1, UNF:6:kRg62d64Phs8P951Y488lA== [fileUNF]
All primary data files of the journal article mentioned can be found here. The data is structured by analysis technique. All files are tagged with the corresponding material. The chronoamperometry (CA) and cyclic voltammetry (CV) data are located in the "Electrochemistry" folder for the corresponding materials. The characterization and catalysis da... |
Jan 22, 2025 - Materials Design
Zhang, Xi, 2024, "Data for: Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten", https://doi.org/10.18419/DARUS-4564, DaRUS, V2
The dataset contains key files to reproduce the results presented in the article " Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten": DFT input files: INCAR, KPOINTS. All POSCAR files for DFT and thermodynamic integration Moment tensor potential (MTP) file Training dataset for MTP All Hessian Matri... |
Jan 16, 2025 - Institute of Thermodynamics and Thermal Process Engineering
Högler, Marc; Kobayashi, Takeshi; Kraus, Hamzeh; Atwi, Boshra; Buchmeiser, Michael; Fyta, Maria; Hansen, Niels, 2025, "Supplementary material for "Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis"", https://doi.org/10.18419/DARUS-4063, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication as well as GC-MS and NMR data. We recommend viewing the data by choosing the option "tree". |
