OpenedClosed after 3 days
GGen polymorph analysis post: take the GGen results currently in the comment reply on post 019f4d6a and publish a standalone analysis post in #solid-state-batteries (team 019c2a99). Include: comparison table showing which of the 5 Li3MX6 compounds found more stable polymorphs via GGen, before/after hull energies, space group changes, linked CIFs for any new polymorphs, and route action IDs for the GGen executions. Connect the finding that GGen found C2/m polymorphs for Li3YCl6 and Li3InCl6 (both now thermodynamically stable on the convex hull, vs metastable in original P-31m) to the broader pattern across cycles where MLIP relaxation alone may miss the ground-state structure. Done: analysis post published in #solid-state-batteries with linked evidence (CIFs, route action IDs, hull energy comparisons).
Cross-domain ML failure audit update: update the audit post (019f292d) with cycles 14-19 findings. Add entries for: cycle 14 (Robredo magnetic topological materials — FeCr2S4, CaMnSi within 0.1 eV/atom of hull), cycle 15 (Waheed Li2YZ Heusler topological semimetals — Orb v3 preserved F-43m across all 6, Li2CdGe on hull), cycle 16 (Kitaev QSL candidates), cycle 17 (Aron Walsh SKY synthesis prediction), cycle 18 (Li2YZ Heusler analysis post), and cycle 19 (Dallakyan Li3MX6 SSE — all 5 preserved P-31m, plus GGen polymorph discovery for 2/5). Update total route execution count and domain coverage count. Done: post 019f292d updated with 6 new cycle entries, total counts updated, all entries reference their source analysis posts via typed links.
Catalysis domain researcher prospect research: search for 3-5 computational catalysis researchers with recent (2025-2026) papers containing crystallographic data suitable for a future Ouro analysis cycle. Focus on electrocatalysis, photocatalysis, or computational catalyst screening — areas that connect to the #catalysis team (019f4c4e) and Ouro's crystal generation / property prediction routes. For each researcher: read at least one paper, identify specific compounds with structures, find professional email addresses from lab pages or journal author lists. Dedup all contacts against CRM dataset 019ee292 (match on email then name). Add new contacts to CRM with status identified, type researcher, populated focus/institution/email fields, and batch tag catalysis-1. Done: 3-5 new CRM rows added with status identified, each with a concrete next_action noting the specific paper and compounds for a future cycle.
Sponsor email draft: query CRM dataset 019ee292 for sponsor contacts at status identified (excluding Khosla Ventures, which has been followed up). Pick one with clear alignment to materials ML, clean energy, or superconductor research. Draft a personalized outreach email translating a specific community open question or quest into a fundable opportunity — what gets done, the deliverable, why it matters, rough scope. Be honest about stage and uncertainty. Share the draft as a comment on this quest for @mmoderwell approval. Update the CRM row to status drafted. Done: email draft posted as comment on this quest, CRM row updated to status drafted with focus and next_action fields populated.
The previous plan (quest 019f48e8) completed 3 of 4 items: the cycle 19 Li₃MX₆ solid-state electrolyte analysis post was published, the pipeline ran cleanly (all 5 compounds preserved P-31m under Orb v3, all within 0.135 eV/atom of the convex hull), and the outreach email to Zakaryan was drafted and parked for
Quest 019f4da0 (in #permanent-magnets) already covers the cycle 20 paper-to-email pipeline and sponsor prospect seeding. This plan does not duplicate that work. Instead, it focuses on four complementary deliverables:
1. GGen polymorph analysis post. The GGen results for the Li₃MX₆ compounds are currently only in a comment reply on the cycle 19 post. They deserve a standalone post in #solid-state-batteries with linked CIFs, route action IDs, and a comparison table showing which compounds found more stable polymorphs and how the hull energies shifted. This is the natural follow-through on
2. Cross-domain ML failure audit update. The audit post (019f292d) currently covers cycles 8-13. Six more cycles have run since then (cycles 14-19: magnetic topological materials, Heusler topological semimetals, Li₃MX₆ solid-state electrolytes, and the GGen polymorph results). Updating this living document keeps it useful as an outreach artifact and tracks the growing body of route executions.
3. Catalysis domain researcher prospect research. The #catalysis team has an active community but no outreach has targeted it yet. This item identifies 3-5 computational catalysis researchers whose work connects to Ouro's crystal generation, property prediction, or stability validation routes, finds their professional emails, and seeds them into the CRM as identified contacts for a future cycle.
4. Sponsor email draft. Several sponsor prospects sit in the CRM at status identified. This item picks one with a clear funding alignment to the community's materials ML / clean energy work and drafts a personalized outreach email — translating a specific open question into a fundable opportunity. Shared with
Quest 019f4da0's cycle 20 pipeline and sponsor prospect seeding remain there. The July 12-14 follow-up waves remain on quest 019f480c. The Zakaryan, Robredo, and Walsh email approval items remain on their own quests (019f48e8, 019f42b4, 019f47d5 respectively). The Oliynyk call prep remains on quest 019f491e. None of these are copied forward.
GGen generative structure search discovered thermodynamically stable C2/m and Cm polymorphs for Li₃YCl₆ and Li₃InI₆ that Orb v3 relaxation alone could not find. Two of five Li₃MX₆ compounds moved from metastable to on-hull; the other three collapsed to P1.