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Data for: Capturing local details in fluid-flow simulations: options, challenges and applications using marker-and-cell schemes
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...
I-07: Grid refinement methods for the Navier-Stokes equations(Universität Stuttgart)
May 15, 2024
Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials
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...
Simulation input scripts to study Transport of Water In Soft confinemenT (TWIST)(Universität Stuttgart)
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)"
Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling
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...
Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
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...
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