We are excited to announce a two-day, hands-on workshop for the Materials Project user community in Berkeley, CA on August 11-12.
The Materials Project (MP) infrastructure brings together multiple open-source code repositories (see our GitHub organization, heterogenous supercomputing resources, flexible NoSQL databases, an API, and modern web standards to provide materials researchers, both theorists and experimentalists, with the information and tools they need to reduce guesswork in materials design.
However, our set of tools has grown in power and scope over the years, and it can be difficult for a newcomer to the ecosystem to utilize our tools effectively. We believe that an active "power user" community is critical to ensuring that the Materials Project remains up-to-date and relevant beyond our core team. Whether you are just getting started with MP, want to deepen your understanding of tools you use regularly, or want to broaden your exposure to tools that may be useful for your research (or that of your organization; be an ambassador!), this workshop is for you. A draft agenda can be found below.
We want to provide a real hands-on training and programming experience and have therefore limited the number of attendees to 80. Register now to reserve your spot. Questions? Ask away by replying to this topic. Looking forward to seeing you in August!
Director, Materials Project
Exploratory data analysis online (Thu Morning)
- overview of MP infrastructure: from databases to web apps
- driving our apps, exploring our data
- walk-through of extended examples; using the API
Materials design and contribution (Thu Afternoon)
- overview of design and contribution tools
- manipulating and suggesting crystal structures for computation
- extending our core data with your contributions (MPContribs)
Data analysis beyond the browser (Fri Morning)
- Overview of pymatgen (our Python materials genomics package)
- walk-through of "offline" use cases, using interactive notebooks
- walk-through of MP-data use cases, using interactive notebooks
Tools for managing and disseminating your data (Fri Afternoon)
- overview of pymatgen-db
- turning a filesystem of (e.g. VASP) results into a queryable database
- from "raw" data to dissemination -- derived collections and web apps