6,071 to 6,080 of 7,918 Results
Feb 10, 2025 -
CSI Dataset espargos-0005: Four phase- and time-synchronous ESPARGOS antenna arrays in a lab room
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 |
Feb 10, 2025 -
CSI Dataset espargos-0005: Four phase- and time-synchronous ESPARGOS antenna arrays in a lab room
JSON - 6.6 KB -
MD5: 7bc5b1276cc294ba4035e93f0f470841
Machine-readable description file |
Feb 7, 2025
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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. |
Feb 7, 2025 -
Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"
Gzip Archive - 2.4 MB -
MD5: 3d7fda4ab58d38397eab99173e66054b
Analysis scripts and jupyter notebooks |
Feb 7, 2025 -
Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"
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.... |
Feb 7, 2025 -
Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"
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 |
Feb 7, 2025 -
Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"
Gzip Archive - 15.4 MB -
MD5: 54a5d1fe38249b8b434c3ee00bfbf4f4
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Feb 7, 2025 -
Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"
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 |