Skip to content

Materials Project Workshop 2021 (August 10 - 12)

The Materials Project Workshop is two-day interactive workshop to learn to use th Materials Project (MP) open-source tools. Topics will include basic structure manipulation, querying data from MP using the API, automating DFT calculations, exploring new chemical systems and machine learning. A optional one-day python and MongoDB primer is provided for anyone new to python programming and using databases. We'll also provide a virtual poster-session for anyone interested in networking with other participants.

Workshop Videos

The lessons for the 2021 virtual workshop are on YouTube and for 2020 are on YouTube and Bilibili.

Note that the 2021 workshop introduced a lesson on the new Materials Project API. Since this is still in development, some details may have changed. Consult our API page and documentation therein for the latest information.

Location

The 2021 Materials Project Workshop will be fully virtual due to COVID related travel and congregation restrictions. We'll use a cloud-based python environment to enable interactive tutorials where we provide close support.

Primer (optional)

All times are in Pacific Daylight Time.

Tuesday Morning -- Python/Jupyter Primer

  • 09:00-09:20 Intro - Logistics
  • 09:20-10:20 Basics - Variables, Lists, Loops
  • 10:20-10:40 Break
  • 10:40-11:40 Control: Conditions, Funtions, Sets/Dictionaries
  • 11:40-12:00 Open Discussion
  • 12:00-13:00 Lunch

Tuesday Afternoon -- MongoDB using Python primer

  • 13:00-14:00 Data Modeling - Python Types to JSON to MongoDB
  • 14:00-14:20 Break
  • 14:20-15:20 Setting up your own Python Environments
  • 15:20-15:40 Open Discussion
  • 15:40-16:00 Wrap-Up

Main Workshop

All times are in Pacific Daylight Time.

Wednesday Morning

  • 09:00-09:20 Overview of the Materials Project
  • 09:20-10:20 Using the Website Effectively
  • 10:20-10:40 Break
  • 10:40-11:40 Pymatgen Foundations
  • 11:40-12:00 Open Discussion
  • 12:00-13:00 Lunch

Wednesday Afternoon

  • 13:00-14:00 Working with Surfaces and Interfaces in Pymatgen
  • 14:00-14:20 Break
  • 14:20-15:20 Using the Materials API
  • 15:20-15:40 Open Discussion
  • 15:40-16:00 Wrap-up

Thursday Morning

  • 09:00-09:20 Intro
  • 09:20-10:20 Automating DFT
  • 10:20-10:40 Break
  • 10:40-11:40 Share Your Data via MPContribs
  • 11:40-12:00 Open Discussion
  • 12:00-13:00 Lunch

Thursday Afternoon

  • 13:00-14:00 Exploring Synthesis with MP Data and Reaction Networks
  • 14:00-14:20 Break
  • 14:20-15:40 Machine Learning with Matminer
  • 15:40-16:00 Wrap-Up

Still have questions?

If you have any further questions, you can find some more helpful info and confact information here