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

Loading...

Persistent link to this item

https://doi.org/10.13020/7zcr-w347
https://hdl.handle.net/11299/214077

Statistics

View Statistics

Keywords

simulation

computational modeling

molecular dynamics

block polymers

self-assembly

block oligomers

amphiphiles

Collection period

2019-03-05
2020-05-07

Date completed

2020-05-11

Date updated

Time period coverage

Geographic coverage

Source information

Journal Title

Journal ISSN

Volume Title

Title

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

Published Date

2020-07-06

Authors

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

Group

Materials Research Science & Engineering Center (MRSEC)

Author Contact

Siepmann, J Ilja
siepmann@umn.edu

Type

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

Related to

Replaces

Replaced by

License

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

item.page.sponsorshipfunderid

item.page.sponsorshipfundingagency

item.page.sponsorshipgrant

Previously Published Citation

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.

Content distributed via the University Digital Conservancy may be subject to additional license and use restrictions applied by the depositor. By using these files, users agree to the Terms of Use. Materials in the UDC may contain content that is disturbing and/or harmful. For more information, please see our statement on harmful content in digital repositories.