Self-assembled Peptide-p-electron Supramolular Polymers:FAIR Data and Student Training

Broad   dissemination.  All  computational  codes  have  been hosted  on  GitHub  (,  simulation  trajectories on the Materials Data Facility ( and  Zenodo  (,  and  a  project  webpage provides information about the team and research outcomes (


Graduate  mentoring. Graduate  researchers  Sayak  Panda, Jessie Dibble and Taein Lee at JHU, Kirill Shmilovich and Nick Herringer at UChicago, Yifan Yao at UIUC, and postdoc Hyun-June  Jang  at  JHU  interact  with  all  project  personnel,  receive mentorship  and  training  in  multi-disciplinary  research.  Kirill Shmilovich’s training in data science enabled him to secure a competitive  Summer  2021  internship  within  the AI  division  of Bosch.


Undergraduate   and   high   school   research. At  Chicago, undergraduates Melody Leung and Rohan Kapoor were trained in  molecular  modeling  calculations  and  machine  learning techniques.  At  JHU,  undergraduate  Anna  Stouffer  became familiar  with  multi-step  manual  peptide  synthesis  techniques and  basic  spectroscopic  methods  to  characterize  peptide nanomaterials (see image at right).

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