1 to 10 of 53 Results
May 29, 2024 - Institute of Applied Analysis and Numerical Simulation
Kemlin, Gaspard; Carvalho Corso, Thiago; Stamm, Benjamin; Melcher, Christof, 2024, "Replication Data for: "Numerical simulation of the Gross-Pitaevskii equation via vortex tracking"", https://doi.org/10.18419/darus-4229, DaRUS, V1
Data for reproducibility of the numerical simulations of the research paper "Numerical simulation of the Gross-Pitaevskii equation via vortex tracking". The .zip file contains everything needed to generate the plots shown in the paper, as well as the code to run your own simulati... |
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... |
May 21, 2024 - I-07: Grid refinement methods for the Navier-Stokes equations
Lipp, Melanie, 2024, "Data for: Capturing local details in fluid-flow simulations: options, challenges and applications using marker-and-cell schemes", https://doi.org/10.18419/darus-4183, DaRUS, V1, UNF:6:QcsEz1/bUSYNlCnGc1KRxw== [fileUNF]
This dataset contains the data in the journal paper "Capturing local details in fluid-flow simulations: options, challenges and applications using marker-and-cell schemes" of Melanie Lipp, Martin Schneider and Rainer Helmig. Particularly, Fig. 5a plots the absolute values of colu... |
Steigerwald, Jonas; Schubert, Stefan, 2024, "Experimental and Numerical Data for: "Micro-PIV study on the influence of viscosity on the dynamics of droplet impact onto a thin film"", https://doi.org/10.18419/darus-3887, DaRUS, V1
Data sets of the article "Micro-PIV study on the influence of viscosity on the dynamics of droplet impact onto a thin film". The article focuses on the evolution of the radial velocity within the crown crater formed during droplet impact onto a thin liquid film. Using four differ... |
Mar 25, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Stierle, Rolf; Schlaich, Alexander; Rehner, Philipp; Gross, Joachim, 2024, "Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling", https://doi.org/10.18419/darus-3769, DaRUS, V1
This data set contains data of three categories: 1) LAMMPS input files (.lammps), postprocessing python script (.py) and density and velocity profiles (.dat) from NEMD. 2) DFT three-dimensional density profiles (.npy) for all systems. 3) Jupyter notebooks (.ipynb) for the calcula... |
Mar 1, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Eller, Johannes; Gross, Joachim, 2024, "Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data", https://doi.org/10.18419/darus-3756, DaRUS, V1, UNF:6:0QTV2eSt2s5RktyiTCTmAg== [fileUNF]
This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication; 2) Gromacs files containing the solute and solvent topology (.gro, .itp, .top), the trajectories (.trr... |
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... |
Jan 11, 2024 - Projects without PN Affiliation
Magiera, Jim M., 2024, "Replication Data for: Constraint-aware neural networks for Riemann problems", https://doi.org/10.18419/darus-3869, DaRUS, V1
Data sets of the article "Constraint-aware neural networks for Riemann problems", consisting of training and test data sets for Riemann solutions of the cubic flux model, an isothermal two-phase model, and the Euler equations for an ideal gas. You can find detailed information in... |
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... |
