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Technische Universität Darmstadt
07 Fachbereich Chemie
Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
Physikalische Chemie
Computergestützte physikalische Chemie
Coarse-Graining
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TUdatalib Home
Technische Universität Darmstadt
07 Fachbereich Chemie
Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
Physikalische Chemie
Computergestützte physikalische Chemie
Coarse-Graining
View Item
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Data of the publication: Application of the 2PT model to understanding entropy change in molecular coarse-graining
Count of file(s): 1
cg2pt.zip (11.99MB)
Date
2020
Author
Bernhardt, Marvin
Dallavalle, Marco
van der Vegt, Nico F. A.
Type
Software
Interactive Resource
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Description
Jupyter notebook files, tabulated potentials, simulation files, and density of states for the publication.
Subject
coarse-graining
;
molecular dynamics
;
tabulated potential
;
2pt method
;
entropy
DFG subject classification
3.13-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische Chemie
URI
https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/2788
Related third party funded projects
DFG | TRR146 | B01 van der Vegt
Related Resources
Is supplement to:
DOI:10.1080/1539445X.2020.1737118
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License description
Except where otherwise noted, this item's license is described as Open Data Commons Attribution License (ODC-By) v1.0