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Open Access

Transferable Local Density-Dependent Friction in tert-Butanol/Water Mixtures

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data.zip () (422.55 MB)
 lammps_code.zip () (3.93 KB)
 python_scripts.zip () (11.93 KB)
 figures.zip () (4.05 MB)

Date

2024-04-03

Type

Dataset
Model

Authors

Mathes, MoritzORCID 0009-0004-5050-7755
Klippenstein, ViktorORCID 0000-0002-4553-9881
van der Vegt, NicoORCID 0000-0003-2880-6383

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

This repository contains the data of the publication: 1) simulation data, models 2) local density-dependent Langevin thermostat for LAMMPS 3) analysis scripts 4) figures (jupyter notebooks)

Keywords

Citation

Identifier

https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/4204
 https://doi.org/10.48328/tudatalib-1405

Endorsement

Related Resources

Is Supplement To
https://doi.org/10.1063/5.0205020

DFG Classification

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

Project(s)

DFG | TRR146 | A02 van der Vegt

Faculty

Collections

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