1 to 10 of 44 Results
Feb 13, 2024 - SciML PDE Benchmark
Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Datasets", https://doi.org/10.18419/darus-2986, DaRUS, V8
This dataset contains benchmark data, generated with numerical simulation based on different PDEs, namely 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D shallow water equation. This... |
Sep 21, 2023 - Molecular Simulation
Kraus, Hamzeh; Högler, Marc; Hansen, Niels, 2023, "Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'", https://doi.org/10.18419/darus-3067, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for bulk phase simulations as well as for pore simulations with 14 different compounds. The pore simulations are... |
Sep 6, 2023 - Publication: Development of stochastically reconstructed 3D porous media micromodels using additive manufacturing: numerical and experimental validation
Lee, Dongwon; Ruf, Matthias; Yiotis, Andreas; Steeb, Holger, 2023, "Numerical investigation results of 3D porous structures using stochastic reconstruction algorithm", https://doi.org/10.18419/darus-3244, DaRUS, V1
This dataset contains the outcomes of conducted numerical simulations, rooted in designs generated using a stochastic algorithm devised by Quiblie (1984), Adler et al. (1990), and Hyman et al. (2014). Moreover, the investigation employed Lattice Boltzmann simulation, as used in p... |
Aug 11, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2023, "Replication Data of Kästner group for: "Determination of Accessibility and Spatial Distribution of Chiral Rh Diene Complexes Immobilized on SBA-15 via Phosphine‑based NMR Probe Molecules"", https://doi.org/10.18419/darus-3310, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and the conformational sampling. Furthermore, the spreadsheet with the collected data is listed. The folders are named similar to the nomenclature in the public... |
Aug 7, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Klostermann, Sina V.; Kästner, Johannes, 2023, "Replication data of C4 group for: "Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2"", https://doi.org/10.18419/darus-3259, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. The folders are named according to the nomenclature in the publication. The Geometry Optimizations can be found in the folders "Opt" and the Single-point energ... |
Aug 2, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Maschita, Johannes; Banerjee, Tanmnay; Lotsch, Bettina V., 2023, "Replication data of Lotsch group for: "Direct and Linker-Exchange Alcohol-Assisted Hydrothermal Synthesis of Imide-Linked Covalent Organic Frameworks"", https://doi.org/10.18419/darus-2777, DaRUS, V1, UNF:6:JpoGE3mNSdR4fNCRgNQIxQ== [fileUNF]
Covalent organic frameworks (COFs) are an extensively studied class of porous materials, which distinguish themselves from other porous polymers in their crystallinity and high degree of modularity, enabling a wide range of applications. However, the established synthetic protoco... |
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... |
May 3, 2023 - A02: Advanced modelling concepts for coupling free flow with porous-media flow
Gläser, Dennis, 2023, "Results for flux-mortar method with mpfa", https://doi.org/10.18419/darus-3261, DaRUS, V1
This dataset contains the results of the examples shown in the publication Boon et al. (2022). The first one investigates the orders of convergence with respect to the mesh size for different element types, as well as the efficiency of the interface preconditioner. The second exa... |
Rettberg, Johannes; Wittwar, Dominik; Buchfink, Patrick; Brauchler, Alexander; Ziegler, Pascal; Fehr, Jörg; Haasdonk, Bernard, 2023, "Replication Data for: Port-Hamiltonian Fluid-Structure Interaction Modeling and Structure-Preserving Model Order Reduction of a Classical Guitar", https://doi.org/10.18419/darus-3248, DaRUS, V1
This dataset includes the system matrices in velocity formulation and a parallel coordinates plot of the sensitivity analysis from the paper titled "Port-Hamiltonian Fluid-Structure Interaction Modeling and Structure-Preserving Model Order Reduction of a Classical Guitar". The sy... |
Jeltsch, Albert; Schnee, Philipp; Saad, Mina; Weirich, Sara; Pleiss, Jürgen; Bashtrykov, Pavel, 2023, "Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation", https://doi.org/10.18419/darus-3263, DaRUS, V1
This data collection contains additional data related to Khella et al.: "The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation". This includes Movie 1: Example of a successful docking of AdoMet to the NSD2 T1150A - H3K36me2 pepti... |
