kcantosh / workshop-2016

Assets for the Materials Project workshop in Aug 2016

MP Workshop 2016

Assets for the Materials Project workshop on August 11-12, 2016 in Berkeley, CA.

Agenda

Thu morning

• 09:00-09:15 Intro
• 09:15-10:30 Web site - walk through selection of apps and material detail pages
• 10:30-10:45 coffee break
• 10:45-12:00 API use - intro MPRester methods, query() syntax, mapidoc repo
• 12:00-13:00 lunch

Thu afternoon

• 13:00-13:15 catch-up/debugging
• 13:15-14:30 Pymatgen core use – going over useful functionality
• 14:30-14:45 coffee
• 14:45-16:00 A manual workflow – using conveniences of Pymatgen and Custodian

Fri morning

• 09:00-09:15 catch-up/debugging
• 09:15-10:30 Automating workflows (Fireworks) – tools for higher throughput
• 10:30-10:45 coffee break
• 10:45-12:00 Reusing workflows (MatMethods) - a framework for composition
• 12:00-13:00 lunch

Fri afternoon

• 13:00-13:15 catch-up/debugging
• 13:15-14:30 Querying your data (MongoDB) – pymatgen-db, flamyngo
• 14:30-14:45 coffee
• 14:45-16:00 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.