MP Workshop 2017
Assets for the Materials Project workshop on August 10-11, 2017 in Berkeley, CA.
Agenda
Breakfast arrives on Thursday and Friday mornings at 09:00.
Wed morning -- Python/Jupyter primer (optional)
- 09:30-10:15 Basics of the Jupyter Notebook, running Python, basic data types
- 10:15-10:45 Control flow
- 10:45-11:05 Libraries
- 11:05-11:20 (break)
- 11:20-11:55 Writing Functions
- 11:55-12:30 Dictionaries
Thu morning
- 09:30-09:45 Intro
- 09:45-11:00 Web site - walk through apps and material detail pages
- 11:00-11:15 coffee break
- 11:15-12:30 API use - intro MPRester methods, query() syntax, mapidoc repo
- 12:30-13:30 lunch
Thu afternoon
- 13:30-13:45 catch-up/debugging
- 13:45-15:00 Pymatgen core use – going over useful functionality
- 15:00-15:15 coffee
- 15:15-16:30 Pymatgen adventures - case studies, use of MP API
Fri morning
- 09:30-09:45 catch-up/debugging
- 09:45-11:00 Automatic workflows (Atomate) – a standard libary
- 11:00-11:15 coffee break
- 11:15-12:30 Atomate deep dive - Fireworks and Custodian
- 12:30-13:30 lunch
Fri afternoon
- 13:30-13:45 catch-up/debugging
- 13:45-15:00 Data management (MongoDB) – Advanced API queries, "Builders"
- 15:00-15:15 coffee
- 15:15-16:30 Contributing data to MP – introducing MPContribs
Contributing
If you have push access to the repository, feel free to add assets / works in progress to share here. The preferred format is *.ipynb for tutorial material. For planning, feel free to examine/edit this repository's wiki.