Planckton
| Main Authors: | Miller, Evan D., Henry, Michael M., Jones, Matthew L., Jankowski, Eric |
|---|---|
| Format: | info software eJournal |
| Bahasa: | eng |
| Terbitan: |
, 2019
|
| Subjects: | |
| Online Access: |
https://zenodo.org/record/2616728 |
Daftar Isi:
- Studying the self-assembly of photo-active ingredients in organic photovoltaics requires the ability to test many different combinations of compounds and processing. In this package, we develop a molecular dynamics wrapper for simulating organic molecules under different conditions. The interactions governing these molecules are automatically generated with aid of the Foyer Python package, and initialized with the mBuild python package. This allows for new chemistries to be reproducible and quickly explored.