---
# System prepended metadata

title: 'Phase Field Schema WG: Sep 2023'

---

# Phase Field Schema WG: Meet 1

[![hackmd-github-sync-badge](https://hackmd.io/DCQ9yGzeSyaAjvBcrQVRGA/badge)](https://hackmd.io/DCQ9yGzeSyaAjvBcrQVRGA)

Meeting agenda, notes and actions for 2023-09-21.

Organizer
: Daniel Wheeler, NIST

Attendees
: - Daniel Wheeler, NIST
  - Zachary Trautt, NIST
  - Stephen DeWitt (he/him), ORNL
  - Trevor Keller (they/them), NIST; uses FEniCS
  - Kasra Momeni; uses COMSOL


## Links

 - [Phase Field Schema WG repository](https://github.com/marda-alliance/phase-field-schema/tree/main)
     - [Proposal document](https://github.com/marda-alliance/phase-field-schema/blob/main/proposal.md)
 - Other proposals
     - [Data Dictionaries](https://github.com/marda-dd/docs)
     - [Metadata extractors](https://github.com/marda-alliance/metadata_extractors)
     - [MDI Integration](https://github.com/marda-alliance/MDI-Provider-Integration-Interoperability)
 - [Current PFHub schema repository](https://github.com/usnistgov/pfhub-schema/tree/main) and [example](https://github.com/usnistgov/pfhub-schema/blob/main/examples/BenchmarkResult-002.yaml)

## Agenda

 1. Intros
 2. Motivation
    - Background materials / links
 3. Procedural issues
    - How frequently to meet?
      - [ ] 2 weeks?
      - [x] monthly?
    - Which platform?
      - [ ] Google Meet
      - [ ] Snail mail
    - 1 hour format for meetings
    - Keep things in GitHub repo (discussion etc)
    - Whenisgood poll for meetings?
 4. What's a MaRDA WG? Olga Wodo / Zach
 5. Current state of PFHub schema: Trevor

 6. Proposal document revisions
    - Goals / outcomes / impacts / deliverables revisions
    - Short term, medium term, long term
 7. Action items for next meeting
    1. More participants? [DW]
       - One extra from commercial code?
         - OpenPhase - Martin Tegeler
         - COMSOL - Alex Guo
         - Pace3D - Britta Nestler, KIT
         - MDF individual
    2. Determine some viable use cases [Everyone]
       - AI use case
       - PFHub benchmark use case
       - Complement to a published paper to better understand it
       - Translation between input files for different codes/frameworks
       - Data publication as a first-class research output
       - Apples-to-apples comparisons between codes (for correctness or performance)
    3. Contribute ideas to schema [DW, Kasra]
       - What fields are required?
       - Categorize things (software frameworks, numerical methods and problem specs)
       - List of existing relevant simulation schemas (e.g. Sumatra) 
       - Are there any other simulation schemas?

## Notes

1. What relevance does a metadata file have for a dataset that's too large to redistribute?
2. 

## Action Items / Follow Up

## Current Work Plan (feel free to comment below items)

1. **Generate ~~and finalize~~ an initial schema**:
   - Use the [existing PFHub LinkML
     repository](https://github.com/usnistgov/pfhub-schema) as a basis
     for generating the schema.
   - Determine use cases (how would other researcher use phase field data).
   - Finalize a schema over first few months of WG

2. **Implement web tool, templates or command line to generate ~~schema files~~ metadata records**
   - Develop a web tool for generating ~~schema files~~ metadata records similar to
    [codemeta.json](https://codemeta.github.io/codemeta-generator/)
   - Create prefilled examples of the YAML / JSON files.
   - Co-opt existing or use new command line tool to query repositories, ask
    questions, populate templates and push entries to Zenodo or similar service.
   - A possible long term goal would be a phase field registry similar to PFHub.

3. **Develop working examples**
   - An example using an existing PFHub benchmark result and integrated
    into the PFHub registry.
   - An example using a study of numerical convergence using a series of
    simulations at varying discretizations.
   - An example phase field schema and associated data published in
    conjunction with a phase field publication.

4. **Approach wider phase field community for feedback**
   - Present examples and tools at CHiMaD phase field workshops
   - Present same at the MaRDA meeting
   - Present at larger conference.
   - Publication describing schema and case study examples.




