111 to 120 of 130 Results
Feb 7, 2025 - SFB 1333 - Pluhackova Group, SimTech
Kolin, Sofia; Marquardt, Moritz G.; Fläschner, Gotthold; Naumann, Stefan; Pluhackova, Kristyna, 2025, "Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"", https://doi.org/10.18419/DARUS-4740, DaRUS, V2
Files and structures for performing and analysing coarse-grained molecular dynamics simulations of solvent diffusion through nanoporous carbon materials. |
Feb 7, 2025 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2025, "Replication data of B3 group for "Diethylaluminium Chloride-Mediated Cycloaddition/Conjugate Reduction Sequence towards Imido-Substituted Norbornenes"", https://doi.org/10.18419/DARUS-4745, DaRUS, V1
A Et2AlCl-promoted sequential cycloaddition / conjugate hydrogenation of cyclopentadiene and 4-isopropyl-3-(3-phenylpropioloyl)oxazolidin-2-one resulting in the clean formation of the corresponding norbornene-oxazolidin-2-one is reported. All primary data files of measurements and processed data of the journal article mentioned under related public... |
Feb 5, 2025 - 3rd Physics Institute
Dasari, Durga B Rao, 2025, "Replication Data for: Remote cooling of spin-ensembles through a spin-mechanical hybrid interface", https://doi.org/10.18419/DARUS-4749, DaRUS, V1, UNF:6:ETBtQoSO3ZS9LAOWlBL5Lg== [fileUNF]
Datasets to reproduce all plots in the paper. Each spreadsheet (xls file) contains the horizontal and vertical data of a subfigure. The simulation data is produced using the numerical diagonalization of the Hamiltonian dynamics using Matlab software. The research investigates cooling of spin-ensembles through a spin-mechanical hybrid interface. |
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... |
Jan 30, 2025 - Holm group
Fellner, Tobias; Tovey, Samuel; Holm, Christian; Spannowsky, Michael, 2025, "Replication Scripts for: "Generating Quantum Reservoir State Representations with Random Matrices"", https://doi.org/10.18419/DARUS-4742, DaRUS, V1, UNF:6:nD61gsDlXntC4Nuq53H6kQ== [fileUNF]
The scripts provided here are for reproducing the results of "Generating Quantum Reservoir State Representations with Random Matrices" (https://doi.org/10.48550/arXiv.2404.07278). See the README.md file for details and instructions. |
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 - 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... |
