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Table of Contents

Meeting notes

Move this somewhere else maybe. Not tied to my talk.

Meeting notes - Monday

Invited talks.
  • Nothing interesting for me.
  • Learned about some other thematically connected EU COST Actions.
    • COST Action CA22123 (EU-MACE) - European Materials Acceleration Center for Energy.
      • Online presences. COST, Homepage, LinkedIn.
      • Notable members.
        • Kourosh Malek, FZJ. WG3 lead.
        • Kevin Rossi.
      • Notable deliverables.
        • EU-MACE B2B ecosystem intelligence platform. URL.
    • COST Action CA22143 - European Materials Informatics Network (EuMINe)
      • Online presences. COST, Homepage.
      • Notable WGs.
        • WG1 Shared policies, datasets and standardization.
        • WG2 Cooperative development of materials informatics approaches.
      • Notables members.
        • Jesper Friis, SINTEF. WG1 lead. Materials ontologies.
        • Keith Butler, UCL. WG2 lead. ML for materials. Scholar.
        • Kevin Jablonka.
        • Kevin Rossi.
        • Pascal Friederich.

WG5 session.

Meeting notes - Tuesday

WG3 session.
  • Miro board “DAEMON WG3 Brainstorming”. URL.

WG2 session.

  • Gironcoli talk. thematic overlap.
  • other talks as well.
  • WG2 roadmap.
  • VK’s comments on Matbench-Discovery.

WG1 session.

Meeting notes - Wednesday

STSM and future events talks.

WG Workshop.

Project management

Event info

  • Talk date and time: <2025-02-05 Wed> morning, time TBA
  • Dryrun with supervisors: skipped
  • Talk duration: 12 min, 10 min talk, 2 min discussion
  • Audience size: DAEMON members, ca. ~50
  • Audience type: material scientists, chemists, and mat/chem data science researchers

Information from email.

Date <2025-01-10 Fri>, from costdaemon@gmail.com, subject “Invited Talk at DAEMON General meeting in Porto”.

Dear DAEMON attendees,

Happy New Year! Congratulations once again on being awarded a Short Term Scientific Mission (STSM) grant in 2024. Your contribution to the DAEMON network is highly valued, and we are excited to hear more about your work.

For this reason, we would like to invite you to deliver a presentation about your STSM project / experience during the DAEMON Porto general meeting. The presentations will take place in the morning of Wed 05/02, and your talk should be 10-15 minutes long (exact duration to be confirmed closer to the event).

This will be a great opportunity to showcase your work to the DAEMON community, engage in discussions, and receive valuable feedback. Please confirm your willingness to present by 17/01/25, so we can finalize the agenda accordingly.

Looking forward to hearing about your work and having a productive meeting.

Other addressees who also seem to have done an STSM in 2024.

Workflow

Slides templates

Using the FZJ LaTeX slides template bemaertheme-juelich.
  • https://gitlab.jsc.fz-juelich.de/kabadshow1/beamertheme-juelich
  • https://gitlab.jsc.fz-juelich.de/kabadshow1/beamerpostertheme-juelich

Checklists [0/7]

  • [ ] Section Frontmatter
    • [ ] titlepage
    • [ ] slides repo
    • [ ] outline
  • [ ] Section Introduction
  • [ ] Section Machine learning all-electron potential
    • [ ] JLCDM
    • [ ] KKR-JLCDM
    • [ ] plots
  • [ ] Section Community
    • [ ] iffAiiDA
    • [ ] best-of-aml
    • [ ] funding
  • [ ] Section Discussion

Slides

General ideas of slide arrangement per section.
No Section Title Intent
-2 frontmatter titlepage
-1 frontmatter slides repo
0 frontmatter outline
1 introduction
x vimp-prediction
x community iffAiiDA
x community best-of-aml
x community funding
discussion

Outline

  • 2 slides on judft all-electron dft
    • atomistic.software AE FP FR DFT. most ML-DFT datasets PP.
    • judft. fleur jukkr kkrnano spirit aiida.
    • bosoni AE accuracy. kkr same accucary internal tests.
  • 2 slides from kkr slides from mavropoulos. reuse from 2024-07-22-talk-tcd-spincomp.
  • 2 slides jlcdm slides from kkr-jlcdm collab meeting. URL.
  • 1 slide from kkr-jlcdm adaptation from kkr-learning notes UP.
  • 2 slides from kkr potential slides from PR.
  • 1-2 slides on training data single-impurity-database
  • 2 slides on results, live demo 3D
  • 1 slide on baml
  • total = ca. 12 slides.

Journal

  • <2025-02-03 Mon>. Idea. Wing it. Reuse former presentations. Start with according outline. Flesh it out iteratively.
  • <2025-02-04 Tue>. Options for adding interactive or animated slides.
    • For showcasing some results from vimp-prediction project, would be nice to have interactive / animated slides to showcase the 3D plots.
    • There are many options. Some current ones discussed in AI conversation with Claude AI - “Embedding Interactive 3D Visualizations in Presentations”. URL.
    • However, in interest of time have to work with minimal setup.
    • Option 1. Just switch from slides window to JupyterLab tab.
    • Option 2. Use the old Jupyter Notebook extension RISE
      • Why notebook RISE, not successor JupyterLab rise: This one requires JL>4, and vimp-prediction is stuck at 3.x because of Codeium Chromium extension, for now.
    • Decision: First make the other slides, then care about this at the end. Assume option 1. If time, upgrade to option 2 by copy-pasting relevant code to temporary notebooks only used for this presentation.
    • Necessary temporary setup and changes to vimp-prediction project for this is documented there in journal - “Adaptions for interactive or animated slides”.
  • <2025-02-04 Tue>. Ideas from previous talks at this DAEMON meeting.
    • See Meeting notes.
    • Add intro slide with map of Europe, TCD IR FZJ DE, DAEMON WG members SS JW.

Research