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Materials Project Workshop 2020 (July 28 - 30)

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 this workshop are on Youtube and Bilibili

Location

The 2020 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

  • 13:00-13:20 Data Modeling - Python Types to JSON to MongoDB
  • 13:20-14:00 Listing, Counting, Finding, and Dot Notation
  • 14:00-14:20 Break
  • 14:20-15:20 Advanced Filtering, Basic Aggregation, and Indexing
  • 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 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 Exploring New Systems with Pymatgen
  • 11:40-12:00 Open Discussion
  • 12:00-13:00 Lunch

Thursday Afternoon

  • 13:00-14:00 MPContribs: Share You Data via MPContribs
  • 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