# 2025-09-11 AiiDA brainstorm meeting

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__Link to Team Compass GH project__
https://github.com/orgs/aiidateam/projects/5

__Link to the hack MD of previous meeting on 2025-06-25__
https://hackmd.io/UUnm89dfQkaovecg2bUYgQ

## Main topics to discuss
- Existing team compass issues updates
- New possible team compass issues
- AiiDA v3? Feasible? What to include? Breaking changes? (combine with above, possibly)
- Redesign Alex & Jason

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## Notes during meeting (Ali)

* Marnik, may organize a coding day/week so that we can collect and write examples for Quantum ESPRESSO
* Ali and Julian follow up #8 Usability: Provide general overview of the AiiDA ecosystem on the docs (AK, JG) -> Sub-issue of #27. Come up with a clear plan, what to delete and what to keep. Organize an MSD meeting and present the ideas before actually doing them.

### Actionable tasks:

- [ ]

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## Team compass isssues updates

__[[#23] Usability: Simplify setup for running common real-world workflows](https://github.com/aiidateam/team-compass/issues/23)__
__Assignees: GeigerJ2, Minotakm, khsrali, mikibonacci, t-reents__
* Joint pres on the issues we identified, main things we want to do
* Strategy of what goes into issues, and who works on them. Open issues until Thursday.
* 10+5 Min

__[[#21] Future: make `aiida-core` fully domain-agnostic](https://github.com/aiidateam/team-compass/issues/21)__
__Assignees: mikibonacci__
* 5 + 5 Min status update, with commitment timeline
* Implementation is there
* pydantic BaseModel (structure.properties)
* no kinds required (but can be set or automatically generated)
* getting started doc with also qe example
* efficient storage (if kind, we compress)
* Mutable version (purely python object)
* (by end of Sept) Need refinement of API, docs, tests. But first I will organize discussions with subgroups:
* aiida-quantumespresso
* AiiDAlab
* MaterialsCloud
* (by mid Oct) aiida-quantumespresso plugin fully migrated, at least in a PR

__[[#17] Usability: Provide generic mechanism to serialize and deserialize data from and to AiiDA data](https://github.com/aiidateam/team-compass/issues/17)__
__Assignees: agoscinski, edan-bainglass__
* Max. 5 min update, should work once current `sealed` issue is fixed

__[[#16] Usability: Make it possible to interact with an AiiDA instance over a web API](https://github.com/aiidateam/team-compass/issues/16)__
__Assignees: edan-bainglass, eimrek, superstar54__
* Focus again once WG stable release on REST API and GUI
* 1 slide, timeline (possibly move to Oct), current issues
* 5 + 5 Min max

__[[#8] Usability: Provide general overview of the AiiDA ecosystem on the docs](https://github.com/aiidateam/team-compass/issues/8)__
__Assignees: GeigerJ2, khsrali__
* Part of main Doc discussion

__[[#4] Usability: Make it easier for users to setup known computers and codes](https://github.com/aiidateam/team-compass/issues/4)__
__Assignees: GeigerJ2, t-reents, unkcpz__
* This is actually probably mostly part of the real-world workflows

__[[#2] Usability: Allow multiple calculations to be run as a single scheduler job](https://github.com/aiidateam/team-compass/issues/2)__
__Assignees: mbercx__
* 5 + 5 Min, remind goals, commitment on timing, OK to move to Nov. ask if he will join.

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## Notes pre-meeting GP
- Avoid having to read through the issues again. Tell me or GP if there are any major things to do.
- Additional major topics:
- Remove engine dependencies
- @ali documentation structure; improve these points, what he has (3 min)
- November: tutorial or coding week?
- By end of Sep, all top-level changes to docs should be agreed upon
- Discuss folder-based access with MBx, have meeting soon. POC of diff command to play with it.
- Also, potentially another paper on aiida, could be about v3
- 15 Min (10+5) in total: Documentation in general, and documentation for possible tutorial.
- Every person 1-2 slides, polished in thoughts, not in graphics
- Ask Ali to add one TC: POC investigation of MCP protocol for AI interaction. Not full impl, but POC. For Nov.
- 10 Min introduction (GP & me): Goal of meeting, TOC. Things to discuss.
- 20 Min AiiDA v3 & paper (possibly skip)
- Oxiida, up to them
- Oxiida 30 Min discussion. Not possible to reach decision.
- Schedule follow-up meeting for actual decision for 2 weeks after.
- Video, other milestones, current milestone updates.