PN 3

SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"

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611 to 620 of 793 Results

tdamp_vs_selfdiff_temp_paramset3_temp0.75_press0.09.dat Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' Fixed Field Text Data - 875 B - MD5: 92c4eec0198fc3243badecdea2719644
tdamp_vs_selfdiff_temp_paramset3_temp1_press0.09.dat Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' Fixed Field Text Data - 864 B - MD5: 791a96b024d7c7b23cf4e3ab93213236
tdamp_vs_selfdiff_temp_paramset3_temp1_press1.8.dat Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' Fixed Field Text Data - 872 B - MD5: 616e774522ac1684a45f9f2d121862de
units.py Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' Python Source Code - 687 B - MD5: 98837400540ab217f9adea9802d3d29f
vtk.py Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' Python Source Code - 9.7 KB - MD5: 909e09dcb3b0c71f7dd3e4fc757ee7b4
Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group" Jul 20, 2022 - SFB 1333 C6 - Holm group, ICP Tischler, Ingo; Holm, Christian; Schlaich, Alexander, 2022, "Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group"", https://doi.org/10.18419/DARUS-1371, DaRUS, V1 All primary data files and processed data of the journal article from C6 group. It contains the simulation and analysis scripts, the ESPResSo commit and a patch to it, with which the data was produced.
ana.py Jul 20, 2022 - Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group" Python Source Code - 4.0 KB - MD5: 28fccaf3a93f62ff3ac4528afacf4d68 Analysis script to process the trajectories to gather the end to end distance distribution.
condor_script.cmd Jul 20, 2022 - Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group" Unknown - 4.1 KB - MD5: 6bddff4d38d77d4f7c075b7cdb608a0a Condor script to run the simulations
condor_script_large.cmd Jul 20, 2022 - Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group" Unknown - 55.3 KB - MD5: 2e3c6b7974b0604fceae0632183a9afb Condor script to run the simulations
end_to_end_KG.py Jul 20, 2022 - Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group" Python Source Code - 9.4 KB - MD5: eceb54902de6a8af5e0779d3173d3e6b Base simulation script

tdamp_vs_selfdiff_temp_paramset3_temp0.75_press0.09.dat

Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'

Fixed Field Text Data - 875 B -

tdamp_vs_selfdiff_temp_paramset3_temp1_press0.09.dat

Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'

Fixed Field Text Data - 864 B -

tdamp_vs_selfdiff_temp_paramset3_temp1_press1.8.dat

Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'

Fixed Field Text Data - 872 B -

units.py

Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'

Python Source Code - 687 B -

vtk.py

Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'

Python Source Code - 9.7 KB -

Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group"

Jul 20, 2022 - SFB 1333 C6 - Holm group, ICP

Tischler, Ingo; Holm, Christian; Schlaich, Alexander, 2022, "Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group"", https://doi.org/10.18419/DARUS-1371, DaRUS, V1

All primary data files and processed data of the journal article from C6 group. It contains the simulation and analysis scripts, the ESPResSo commit and a patch to it, with which the data was produced.

ana.py

Jul 20, 2022 - Publication data for: "The presence of a wall enhances the probability for ring-closing metathesis: insights from classical polymer theory and atomistic simulations - data from C6 group"

Python Source Code - 4.0 KB -

Analysis script to process the trajectories to gather the end to end distance distribution.

condor_script.cmd

Unknown - 4.1 KB -

Condor script to run the simulations

condor_script_large.cmd

Unknown - 55.3 KB -

Condor script to run the simulations

end_to_end_KG.py

Python Source Code - 9.4 KB -

Base simulation script

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