Open Access

Data of the publication: Application of the 2PT model to understanding entropy change in molecular coarse-graining

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Files

cg2pt.zip (11.99 MB)

Date

2021-06-08

Type

Software
Interactive Resource
Model
Workflow

Authors

Bernhardt, Marvin
Dallavalle, Marco
van der Vegt, Nico F. A.

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

Jupyter notebook files, tabulated potentials, simulation files, and density of states for the publication.

Keywords

coarse-graining, molecular dynamics, tabulated potential, 2pt method, entropy

Citation

Identifier

https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/2788

Endorsement

Related Resources

Is Supplement To
https://doi.org/10.1080/1539445X.2020.1737118

DFG Classification

3.13-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische Chemie

Project(s)

DFG | TRR146 | B01 van der Vegt

Faculty

Collections

License

Open Data Commons Attribution License (ODC-By) v1.0
Except where otherwise noted, this license is described as Open Data Commons Attribution License (ODC-By) v1.0