301 to 310 of 318 Results
Unknown - 308 B -
MD5: d4a2865720a78599fc0944924f3dbc63
Simulation parameter file. |
Fixed Field Text Data - 79 B -
MD5: bb0bbc04531108aa89a99990968a6409
Position parameters water molecule |
Unknown - 448 B -
MD5: c0bc4b9410f987d33a8911bcff19dc2c
GROMACS input file for the production step. |
application/vnd.shana.informed.formtemplate - 934 B -
MD5: e8f651d97af11c615999d02095e8eb86
Force field parameter file for the TIP4P/epsilon water model. |
Mar 25, 2022 - Thin Film Water on NaCl(100)
Gravelle, Simon, 2022, "Movies of thin film water on NaCl(100) surface", https://doi.org/10.18419/DARUS-2697, DaRUS, V1
Videos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon (https://doi.org/10.1021/jp410865y), and the force field for the ions is from Loche et al. (https://doi.org/10.1021/acs.jpcb.1c05303). The trajectories have been generated using the GROMACS simulation... |
Mar 25, 2022 -
Movies of thin film water on NaCl(100) surface
MPEG-4 Video - 36.1 MB -
MD5: 2368ca545d6795d3e07dcff9968eeb63
Water content of 0.1 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps. |
Mar 25, 2022 -
Movies of thin film water on NaCl(100) surface
MPEG-4 Video - 43.9 MB -
MD5: 617315813acc135c07ce28fb061196c0
Water content of 0.3 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps. |
Mar 25, 2022 -
Movies of thin film water on NaCl(100) surface
MPEG-4 Video - 37.2 MB -
MD5: dce69e7583b5ca45fe90a75115016476
Water content of 1 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps. |
Mar 25, 2022 -
Movies of thin film water on NaCl(100) surface
MPEG-4 Video - 111.6 MB -
MD5: 8a42fa6d97702fcc27334f22f827d70e
Water content of 3 water molecules per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps. |
Jan 14, 2021 - lee18b_supplement
Lee, Miru, 2021, "Simulation Scripts for Motile Bacteria in a Channel", https://doi.org/10.18419/DARUS-1188, DaRUS, V1
Simulation scripts to simulate bacteria in a channel. Motility patterns run and tumble or straight swimming are supported. Requires Espresso simulation package. (http://espressomd.org/) For more information, see README.MD |