1 to 10 of 246 Results
Apr 23, 2024 - Simulation input scripts to study Transport of Water In Soft confinemenT (TWIST)
Schlaich, Alexander, 2024, "Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials", https://doi.org/10.18419/darus-3966, DaRUS, V1
Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials" The folders the corresponding simulation and analysis files to setup the simulation systems (SETUP), perform the GCMC/MD simulations (ISOTHER... |
Hofmann, Sebastian; Buntkiel, Lukas; Rautenbach, Ryan; Gaugler, Lena; Ma, Yifan; Haase, Ingrid; Fitschen, Jürgen; Wucherpfennig, Thomas; Reinecke, Sebastian; Hoffmann, Marko; Takors, Ralf; Hampel, Uwe; Schlüter, Michael, 2024, "Data for: Experimental Analysis of Lifelines in a 15,000 L Bioreactor by Means of Lagrangian Sensor Particles", https://doi.org/10.18419/darus-3768, DaRUS, V1
The DaRUS repository entails the raw files, result files and the MATLAB codes for the publication "Experimental Analysis of Lifelines in a 15,000 L Bioreactor by Means of Lagrangian Sensor Particles" in the journal "Chemical Engineering Research and Design". This study employs La... |
Apr 18, 2024 - Publication: Microfluidic experiments
Karadimitriou, Nikolaos; Lee, Dongwon; Vahid Dastjerdi, Samaneh; Steeb, Holger, 2024, "Primary drainage experiments and fractal dimensions", https://doi.org/10.18419/darus-4114, DaRUS, V1
The current repository contains raw data in the shape of images collected during a systematic laboratory study, examining the usability of the fractal dimension in the characterization of the flow regime. The study is presented in the paper by Karadimitriou et al., 2024. The two... |
Apr 11, 2024C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Dataverse collecting the simulation input scripts around the theoretical studies of the ANR funded project "Transport of Water In Soft confinemenT (TWIST)" |
Apr 11, 2024 - Holm group
Finkbeiner, Jan; Tovey, Samuel; Holm, Christian, 2024, "Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials", https://doi.org/10.18419/darus-4099, DaRUS, V1
Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data selection scripts for the neural networks, scripts for running and analysing the production simulations with... |
Apr 2, 2024 - 3rd Physics Institute
Körber, Jonathan; Heiler, Jonah, 2024, "Replication Data for "Spectral stability of V2-centres in sub-micron 4H-SiC membranes"", https://doi.org/10.18419/darus-3982, DaRUS, V1, UNF:6:47fN8IWW9lCmomcyi4yOOg== [fileUNF]
CSV data sets to reproduce all plots in the paper and the Supplementary Information |
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 11, 2024 - Institute for Theoretical Physics IV
Speck, Thomas; Papanikolaou, Nikos, 2024, "Supplementary material for `Dynamic renormalization of scalar active field theories`", https://doi.org/10.18419/darus-4073, DaRUS, V1
The following folders have Jupyter notebook files that are used to obtain the results we present in Section I.1, I.2, III.B, III.C, IV.A and IV.B and Appendix C and D and Figures 9, 10, 11, 13. To calculate the graphical corrections we extensively use the Python package ``restflo... |
Mar 8, 2024 - Materials Design
Srinivasan, Prashanth; Demuriya, David; Grabowski, Blazej; Shapeev, Alexander, 2024, "Data for: Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom", https://doi.org/10.18419/darus-3891, DaRUS, V1
Data for "Srinivasan, P., Demuriya, D., Grabowski, B. et al. Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom. npj Comput Mater 10, 41 (2024). doi:10.1038/s41524-024-01222-9 The dataset contains three folders: Data for the four figure... |
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... |
