Supporting Data for "From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains"

Shen, Zhengyuan
Chen, Jingyi L
Vernadskaia, Viktoriia
Ertem, S Piril
Mahanthappa, Mahesh K
Hillmyer, Marc A
Reineke, Theresa M
Lodge, Timothy P
Siepmann, J Ilja
2020-07-06
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https://doi.org/10.13020/7zcr-w347
 https://hdl.handle.net/11299/214077
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Collection period

2019-03-05
2020-05-07

Date completed

2020-05-11

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Journal Title

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Title

Supporting Data for "From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains"

Published Date

2020-07-06

Authors

Group

Materials Research Science & Engineering Center (MRSEC)

Author Contact

Siepmann, J Ilja
siepmann@umn.edu

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Dataset

Abstract

Data including input/output and restart files for all the systems, analysis codes (python, fortran, cpp), and figures in the paper "From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains." Sample molecular dynamics trajectories pieces are provided due to the extremely long simulation trajectories.

Description

Referenced by

“From order to disorder: computational design of symmetric triblock amphiphiles with 1-nm domains”, Z. Shen, V. Vernadskaia, J. Chen, S. P. Ertem, M. A. Hillmyer, T. M. Reineke, T. P. Lodge and J. I. Siepmann, J. Am. Chem. Soc., 142, 9352-9362, 2020. 10.1021/jacs.0c01829
https://doi.org/10.1021/jacs.0c01829

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CC0 1.0 Universal
 http://creativecommons.org/publicdomain/zero/1.0/

Publisher

Collections

Data Repository for U of M (DRUM)
MRSEC Research Data

Funding information

MRSEC award DMR-1420013

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Suggested citation

Shen, Zhengyuan; Chen, Jingyi L; Vernadskaia, Viktoriia; Ertem, S Piril; Mahanthappa, Mahesh K; Hillmyer, Marc A; Reineke, Theresa M; Lodge, Timothy P; Siepmann, J Ilja. (2020). Supporting Data for "From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains". Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/7zcr-w347.

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Readme_DRUM_11299_214077.txt
Readme Description of the Dataset
(167.21 KB)

paper_dataV2.zip
Data files including sample simulation input/output files, trajectories, and codes/scripts for analysis
(12.75 GB)

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