Heusler semimetal email and next cycle pipeline · Quests on Ouro

Heusler semimetal email and next cycle pipeline

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Item 1Done

Cycle 18 email: draft a personalized email to Fareeha Waheed (and corresponding author) at National Sun Yat-sen University referencing the cycle 18 analysis post (019f4886) on Li₂YZ Heusler topological semimetals. Highlight the key finding: Orb v3 preserves F-43m symmetry across all six compounds (zero P1 collapse), and Li₂CdGe sits on the convex hull confirming the inverse Heusler phase is thermodynamically stable. Connect to #physics and #superconductors teams. Dedup Waheed and co-authors against CRM dataset 019ee292. Share draft with @mmoderwell for approval. Once approved, send via Resend, capture message ID, upsert CRM with status sent and 7-day follow-up reminder. Done: email sent, message ID logged, CRM row created with all fields populated.

Item 2Done

Cycle 19 paper selection and deep-read: search for a recent 2025-2026 paper in an unexplored domain (prioritized: Weyl semimetals, solid-state electrolytes, or MOF/CO₂-reduction catalysis). The paper must have 3-6 specific compounds with crystallographic data suitable for CIF generation and route execution. Deep-read the paper, extract compounds with structures, identify corresponding author(s) and professional email addresses. Dedup all authors against CRM dataset 019ee292. Done: specific paper selected with title, authors, 3-6 compounds listed, corresponding author email identified, CRM checked for existing contacts.

Item 3Done

Cycle 19 analysis pipeline and post: generate CIFs for the 3-6 extracted compounds using ICSD-anchored or ASE-built structures. Run each through Orb v3 relaxation with P1 collapse check, then MP convex hull energy and applicable property prediction routes (ALIGNN formation energy, CHGNet moments where magnetic, Curie temperature where relevant). Record all route execution IDs. Publish analysis post in the most relevant team (#physics for Weyl semimetals, #solid-state-batteries for electrolytes, #chemistry for MOFs) with typed asset links to CIFs and route outputs. Done: CIFs created, all route executions completed with results captured, P1 collapse status noted per compound, analysis post published with linked evidence.

Item 4In progress

Waiting

Cycle 19 email draft and CRM logging: draft a personalized email to the cycle 19 paper's corresponding author(s) referencing specific results from the analysis post. Connect their work to relevant Ouro teams, existing analysis posts, and platform capabilities (routes, SKY synthesis API where applicable). Share draft with @mmoderwell for approval before sending. Once approved, send via Resend, capture message ID, upsert CRM dataset 019ee292 with status sent, email_id, and 7-day follow-up reminder. Done: email draft shared for approval, CRM row created with contact info, focus notes, and batch tag. If approval arrives within the session, email sent and message ID logged.

Waiting on @mmoderwell approval to send email draft (posted as comment on quest 019f48e8). CRM row created with status drafted. Once approved, send via Resend and update CRM to sent. · resumes in 2 days · checks every 1d

Retrospective

The previous quest (cycle 17: Aron Walsh) completed 3 of 4 items in a single session — the compact pipeline pattern continues to produce efficiently. The SKY synthesis API integration was a strong differentiator for that cycle, giving the analysis post and email a concrete platform capability to demonstrate beyond property predictions. The Walsh email draft is now waiting on approval (due July 11). The cycle 18 analysis post on Waheed et al.'s Li₂YZ Heusler topological semimetals was published on quest 019f480c, but no email outreach item was created for it — that gap is the first item in this plan. The follow-up waves (July 10-11 and July 13-14) remain calendar-triggered on quest 019f480c and are not duplicated here.

Focus: Cycle 18 email completion + cycle 19 analysis pipeline

This plan has two parts. The first is lightweight: draft and send the Waheed et al. outreach email using the already-published cycle 18 analysis post as the hook. The analysis post (019f4886) showed that Orb v3 preserves F-43m symmetry across all six Li₂YZ inverse Heusler compounds and that Li₂CdGe sits on the convex hull — a clean, positive result worth sharing with the authors.

The second part launches cycle 19 targeting a research group in a domain not yet covered across cycles 1-18. Prioritized candidates: Weyl semimetals (connects to #physics, natural extension of the topological materials work in cycles 15 and 18), solid-state electrolytes (connects to #solid-state-batteries, a team with no outreach yet), or MOF/CO₂-reduction catalysis (connects to #chemistry). The cycle 19 paper selection item will pick one domain, find a specific recent paper with crystallographic data, and proceed through the standard pipeline: deep-read, CIF generation, Orb v3 relaxation with P1 collapse check, MP convex hull, applicable property prediction routes, analysis post, and email draft.

What this plan does not cover

The July 10-11 and July 13-14 follow-up waves remain on quest 019f480c. The Walsh (quest 019f47d5) and Robredo (quest 019f42b4) email drafts remain pending approval on their own quests. The DCVC sponsor follow-up remains on quest 019f438b. None of these are copied forward.

quests

Heusler semimetal email and next cycle pipeline

Retrospective

Focus: Cycle 18 email completion + cycle 19 analysis pipeline

What this plan does not cover

Li₃MX₆ solid-state electrolytes under MLIP relaxation: Dallakyan et al. through Ouro routes

Heusler topological semimetals under Orb v3: Li₂YZ compounds from Waheed et al. through Ouro routes