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Unknown - 9.6 GB - MD5: 0b47cfcaf2c7dc354ec356b7b71f0757
Robots follows an anti-clockwise spiral trajectory, starting in the center and moving towards the perimeter, slow robot speed
JSON - 6.6 KB - MD5: 7bc5b1276cc294ba4035e93f0f470841
Machine-readable description file
Graduiertenkolleg 2543(Universität Stuttgart)
Feb 7, 2025Institute for System Dynamics
Datenbank zur Speicherung der Messdaten.
Institute for System Dynamics(Universität Stuttgart)
Feb 7, 2025
Feb 7, 2025 - SFB 1333 - Pluhackova Group, SimTech
Kolin, Sofia; Marquardt, Moritz G.; Fläschner, Gotthold; Naumann, Stefan; Pluhackova, Kristyna, 2025, "Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"", https://doi.org/10.18419/DARUS-4740, DaRUS, V2
Files and structures for performing and analysing coarse-grained molecular dynamics simulations of solvent diffusion through nanoporous carbon materials.
Gzip Archive - 2.4 MB - MD5: 3d7fda4ab58d38397eab99173e66054b
Analysis scripts and jupyter notebooks
Gzip Archive - 15.3 MB - MD5: 83ce7b9c0983db969665945ba94c49ee
itp files common to multiple simulations. For completeness this folder also includes the files martini_v.3.0.0.itp and martini_v3.0.0_solvents.itp from the standard martini repository https://github.com/marrink-lab/martini-forcefields/tree/main/martini_forcefields/regular/v3.0.0/gmx_files Please cite PCT Souza, et al., Nat. Methods, 2021. DOI: 10....
Gzip Archive - 3.7 MB - MD5: f12cd83220d5a372c0c3e5adcbfb8edd
jupyter notebook and input files for the developed markov model describing the first passage times through a cubic material
Gzip Archive - 152.5 MB - MD5: 59e52ee52dfc4c9c93fecf12a1d73950
GROMACS simulation files (topologies, index and mdp files) as well as structures of the individual systems studied sorted in 3 categories- solvent systems, cubic systems and hexagonal systems
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