1 to 2 of 2 Results
Apr 29, 2021 - Molecular Simulation
Kobayashi, Takeshi; Kraus, Hamzeh; Hansen, Niels; Fyta, Maria, 2021, "Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'", https://doi.org/10.18419/darus-1138, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper. The data of the final NVT production simulation run are stored for t... |
Jan 13, 2021 - Microscale analysis
Weishaupt, Kilian, 2021, "High-resolution 3D Stokes reference solution for a free-flow channel over a structured porous domain", https://doi.org/10.18419/darus-782, DaRUS, V1
3D numerical reference for the setup described in https://doi.org/10.1063/1.5092169. |