Open Access

Data of the publication "Dynamical Coarse-grained Models of Molecular Liquids and their Ideal and Non-ideal Mixtures"

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dynamicCG_molmixtures.zip (43.66 MB)

Date

2023-06-15

Type

Dataset
Model

Authors

Tripathy, MadhusmitaORCID 0000-0002-8068-5374
Klippenstein, ViktorORCID 0000-0002-4553-9881
van der Vegt, NicoORCID 0000-0003-2880-6383

Journal Title

Journal ISSN

Volume Title

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Abstract

Description

Input files and memory kernels for atomistic and coarse-grained simulations. Data files for structural and dynamical properties.

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Citation

Identifier

https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/3899
 https://doi.org/10.48328/tudatalib-1177

Endorsement

DFG Classification

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

Project(s)

DFG | TRR146 | A02 van der Vegt

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License

CC BY 4.0 - Attribution 4.0 International
Except where otherwise noted, this license is described as CC BY 4.0 - Attribution 4.0 International