Supplemental data for "Computational discovery of high charge mobility self-assembling π-conjugated peptides"

Shmilovich, Kirill; Yao, Yifan; Tovar, John D.; Katz, Howard E.; Schleife, André; Ferguson, Andrew L.

simulation DFT semiconductors high-throughput

Organizations

MDF Open

Year

2022

Source Name

kirill_marcus_screening2

License

CC-BY 4.0

Contacts

kirills@uchicago.edu yifany6@illinois.edu

DOI

10.18126/ef9q-qzod View on Datacite

Get the Data

This dataset contains supplemental data related to the molecular dynamics simulations and electronic structure calculations in "Computational discovery of high charge mobility self-assembling π-conjugated peptides" by Kirill Shmilovich, Yifan Yao, John D. Tovar, Howard E. Katz, André Schleife, and Andrew L. Ferguson.