OpenedClosed after about 17 hours
Heising-Simons Foundation sponsor outreach and new prospect seeding: The Science Events open call ($20K-$80K) has a July 10 deadline. Either draft and submit an application (if the call format allows a quick submission) or flag the deadline to @mmoderwell immediately with details and a recommendation. Additionally, identify 2-3 new sponsor prospects (foundations, programs, or funds aligned to community research areas like superconductors, permanent magnets, or materials ML) and add them to CRM dataset 019ee292 as identified contacts with focus notes, institution, and any discoverable contact channels. Done: Heising-Simons action taken (application submitted or mmoderwell flagged with deadline details), and 2-3 new sponsor rows added to CRM with status identified.
Publish cross-domain ML failure audit post update: update post 019f292d with findings from cycles 15-18. Include: Li₂YZ inverse Heusler zero P1 collapse (Orb v3 preserves F-43m across all 6 compounds, Li₂CdGe on convex hull), Kitaev QSL Na₂Co₂TeO₆ 4/6 P1 collapse with CrI₃ as exception, Walsh SKY synthesis recipe + ML prediction pairing results, and CsPbX₃ perovskite Pm-3m preservation. Add typed asset links to the cycle 15-18 analysis posts and route outputs. Done: post 019f292d updated with new cycle 15-18 findings, linked evidence, and a clear summary of updated failure pattern coverage.
Oliynyk call preparation: prepare a one-page briefing document for the week-of-July-13 call with Boris Oliynyk (Lehigh, adaptive design of experiments / compositional feature engineering). Include: relevant Ouro capabilities (MLIP screening routes, ALIGNN/CHGNet prediction routes, SKY synthesis API), 2-3 analysis posts to share (cross-domain ML audit, Heusler semimetal post, Walsh synthesis post), and a concrete collaboration proposal tied to his work on Bayesian/experimental design for materials discovery. Save as a file asset in #materials-science or #machine-learning team. Done: briefing document published as a file asset with call agenda, capability summary, and collaboration proposal.
New researcher prospecting batch: identify 5-8 researchers in domains adjacent to existing cycles, prioritizing solid-state electrolytes (for #solid-state-batteries team), thermoelectrics (for #thermoelectrics team), and topological materials. For each, find their professional email address, note 1-2 specific recent papers, and dedup against CRM dataset 019ee292. Add all new contacts to CRM as identified status with focus, institution, email, and batch tag. Done: 5-8 new researcher rows in CRM dataset 019ee292 with status identified, populated focus and email fields, and no duplicates of existing contacts.
The previous plan (019f480c) completed its CRM audit and cycle 18 analysis post, but the two follow-up wave items remain in_progress with timed waits for July 10 and July 13. Separately, quest 019f48e8 already covers cycle 18 email and the full cycle 19 pipeline (paper selection, analysis post, email), and quest 019f47d5 holds the Walsh email waiting on mmoderwell approval. Those quests remain open and this plan does not duplicate them.
Four pieces of work that are not tracked on any existing quest and need attention this period:
Heising-Simons Foundation. Identified on July 8 as a sponsor prospect: their Science Events open call offers $20K-$80K with a deadline of July 10. That deadline is tomorrow. Either draft and submit an application or flag the deadline to
Cross-domain ML failure audit update. The audit post (019f292d, 29 views) was last updated July 7. Content for an update incorporating cycles 15-18 findings was prepared July 7 but never published. The new data is significant: Li₂YZ inverse Heusler shows zero P1 collapse across all six compounds (Orb v3 preserves F-43m), Kitaev QSL candidates show 4/6 P1 collapse, Walsh synthesis runs paired SKY recipes with ML predictions, and CsPbX₃ perovskites preserve Pm-3m. Publishing this update gives follow-up emails a fresh, substantive asset to reference and strengthens the platform's position as a living benchmark.
Oliynyk call preparation. Boris Oliynyk (Lehigh, compositional feature engineering for materials discovery) replied July 2 and scheduled a call for the week of July 13. The call is next week and needs preparation: a one-page briefing on relevant Ouro capabilities (MLIP screening routes, ALIGNN/CHGNet predictions, SKY synthesis API), relevant analysis posts to share, and a concrete collaboration proposal tied to his work on adaptive design of experiments for materials.
New researcher prospecting. The pipeline needs fresh targets in domains adjacent to existing cycles. Solid-state electrolytes (active #solid-state-batteries team), thermoelectrics (#thermoelectrics team), and topological materials are productive hunting grounds. Identify 5-8 new researchers, find professional email addresses, dedup against CRM dataset 019ee292, and add as identified contacts with specific focus notes.
No duplication of cycle 19 work on quest 019f48e8 or follow-up waves on quest 019f480c.
No materials science research work (screening chains, bias correction) per
Every email personalized to one person referencing their specific work. No bulk sends.
Heising-Simons deadline is July 10. If the window is too tight for a full application, flag to
Cross-domain audit of ALIGNN, CHGNet, and Orb v3 failure modes across 19 material domains: superconductors, permanent magnets, thermoelectrics, minerals, kagome quantum materials, dirhenates, NASICON cathodes, Kitaev quantum spin liquids, topological semimetals, spinel electrocatalysts, lead halide perovskites, magnetic topological materials, halide solid-state electrolytes, and more. 245+ route executions, 9 failure patterns mapped with positive data points including the first generative structure search success.
Orb v3 relaxation and convex hull analysis of 6 Kitaev quantum spin liquid candidate compounds from Li et al. (2026), npj Quantum Materials.
Cycle 14 cross-domain ML failure audit: Orb v3 collapses all 6 Co-based spinel oxides (Fd-3m to P1), ALIGNN shows bidirectional formation energy errors, 5-8x hull overestimates, and magnetic moment failures for AFM compounds. 30 route executions on spinel electrocatalysts from Baek et al. Nat. Commun. 2026.
Pairing ML property prediction routes with the SKY synthesis API on six perovskite compounds from Walsh group's Chemistry of Materials paper
Testing six Li₂YZ full-Heusler topological Dirac semimetal candidates (Waheed et al., ACS Omega 2025) through Orb v3 relaxation and Materials Project convex hull — all preserve F-43m symmetry, Li₂CdGe on the hull