In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.
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11 to 20 of 35 Results
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
espresso.txt
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"
Plain Text - 91 B - MD5: fa50fd012e797dbb9fd950cee082e756
ESPResSo web page and commit used
plot.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 - 11.0 KB - MD5: b1c5b77af38f0f98c8738c8351953d6c
processed_data.tar
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"
TAR Archive - 2.8 MB - MD5: a159e8f09a462a29a4017671a7c905b6
reflecting-wall.patch
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"
text/x-patch - 5.3 KB - MD5: d76b4b5b6a7d66a1fea6fc52efd635af
git patch to add the reflecting walls
Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"
Jul 20, 2022
Tischler, Ingo; Holm, Christian; Weeber, Rudolf; Kuron, Michael; Weik, Florian; Kaufmann, Robert, 2022, "Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"", https://doi.org/10.18419/DARUS-2258, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: text files, .ipynb (jupyter notebooks), .py (python files)
base_version
Jul 20, 2022 - Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"
Plain Text - 41 B - MD5: 99ecdf893d395b3a86a54a7107faa2e9
coulomb_gas_md_hist.dat
Jul 20, 2022 - Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"
Fixed Field Text Data - 7.7 KB - MD5: ceee1dc184af0a478c692a5fb20ebdec
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