Jul 12

Cycle 24 outreach: photovoltaic absorbers through Ouro routes

Closedclosable4 of 4 resolved

OpenedClosed after about 4 hours

Item 1Done

1 accepted

Cycle 24 paper selection and deep-read in #photovoltaics: search for a recent 2025-2026 paper on photovoltaic absorber materials (perovskites, kesterites CZTS/CZTSe, chalcogenides, or hybrid organic-inorganic) with 3-6 specific compounds containing full crystallographic data (space group, lattice parameters, atomic positions) suitable for CIF generation. Deep-read the paper, extract compound list with structures, identify corresponding author and professional email. Dedup all authors against CRM dataset 019ee292 (match on email then name). Done: specific paper selected with title, authors, 3-6 compounds listed with crystallographic data, corresponding author email identified, CRM checked for existing contacts.

Item 2Done

1 accepted

Cycle 24 CIF generation and route execution: generate CIFs for the 3-6 extracted compounds using ASE-built or ICSD-anchored templates. Run each through Orb v3 relaxation with P1 collapse check, then MP convex hull energy and ALIGNN formation energy routes. Record all route execution IDs. Pay attention to whether Orb v3 handles layered or hybrid PV structures differently from dense intermetallics (Laves, Heuslers) and open frameworks (MOFs, Li3MX6) seen in prior cycles. Done: CIFs created as file assets, all route executions completed with action IDs captured, P1 collapse status noted per compound, results table compiled.

Item 3Done

1 accepted

Cycle 24 analysis post publication: write and publish an analysis post in #photovoltaics (team 019f4c4e-73f2-7dcb-a0a9-daf9840b712e) comparing Orb v3 behavior on these structures to prior cycles, noting any new ML failure modes or stability patterns. Include typed asset links to CIFs and route outputs. Done: analysis post published in #photovoltaics with linked evidence, engagement counts checked after posting.

Item 4Done

1 accepted

Cycle 24 email draft and CRM logging: draft a personalized email to the paper's corresponding author referencing specific results from the cycle 24 analysis post. Connect their work to the #photovoltaics team, existing analysis posts, platform capabilities (routes, datasets), and the broader pattern of ML model behavior across structure types. Share draft with @mmoderwell for approval before sending. Create CRM row in dataset 019ee292 with contact info, focus notes, batch tag pv-1, and status drafted. Done: email draft shared for approval as a comment on this quest, CRM row created with all fields populated and concrete next_action.

Jul 12

Cycle 24 outreach: photovoltaic absorbers through Ouro routes

Overview

Connections

10

Completion notes

Retrospective

The previous plan shipped 2 of 4 items: Zurek/Errea follow-ups were sent (already done in a prior tick), and cycle 23 paper selection completed with a strong pick (Ershadrad et al. on 2D ferromagnets, 6 FeXZ₂ compounds, corresponding author Biplab Sanyal at Uppsala). The cycle 23 analysis pipeline and email draft remain pending, blocked first by a 402 credits error and then by Resend MCP tool loading failures. The lesson is to keep scope tight: one cycle, fully scoped, with room for tool issues.

What This Plan Covers

A single new outreach cycle (cycle 24) in #photovoltaics, the last untouched domain alongside #catalysis (which has a blocked prospect research item on quest 019f4ddc). The cycle follows the established compact pipeline: paper selection, CIF generation and route execution, analysis post publication, and email draft to the corresponding author.

#photovoltaics (team 019f4c4e-73f2-7dcb-a0a9-daf9840b712e) has had no outreach cycles yet. The domain is a natural fit for the Ouro MLIP pipeline: absorber materials (perovskites, kesterites, chalcogenides) often have well-published crystallographic data suitable for CIF generation, and stability under relaxation is an open question for layered and hybrid structures.

What This Plan Does Not Cover

Cycle 23 analysis pipeline and email (items 3-4 on quest 019f53a3) stay there. The Okabe/Li follow-up wave (due July 12, tracked on quest 019f42b4 item 2) and Yuk/Lee follow-ups (due July 14, same item) stay there. The Robredo email approval (quest 019f42b4 item 4) stays there. The catalysis prospect research (quest 019f4ddc) stays there. None are copied forward.

4

Closedclosable4 of 4 resolved

OpenedClosed after about 4 hours

Item 1Done

1 accepted

Cycle 24 paper selection and deep-read in #photovoltaics: search for a recent 2025-2026 paper on photovoltaic absorber materials (perovskites, kesterites CZTS/CZTSe, chalcogenides, or hybrid organic-inorganic) with 3-6 specific compounds containing full crystallographic data (space group, lattice parameters, atomic positions) suitable for CIF generation. Deep-read the paper, extract compound list with structures, identify corresponding author and professional email. Dedup all authors against CRM dataset 019ee292 (match on email then name). Done: specific paper selected with title, authors, 3-6 compounds listed with crystallographic data, corresponding author email identified, CRM checked for existing contacts.

Item 2Done

1 accepted

Cycle 24 CIF generation and route execution: generate CIFs for the 3-6 extracted compounds using ASE-built or ICSD-anchored templates. Run each through Orb v3 relaxation with P1 collapse check, then MP convex hull energy and ALIGNN formation energy routes. Record all route execution IDs. Pay attention to whether Orb v3 handles layered or hybrid PV structures differently from dense intermetallics (Laves, Heuslers) and open frameworks (MOFs, Li3MX6) seen in prior cycles. Done: CIFs created as file assets, all route executions completed with action IDs captured, P1 collapse status noted per compound, results table compiled.

Item 3Done

1 accepted

Cycle 24 analysis post publication: write and publish an analysis post in #photovoltaics (team 019f4c4e-73f2-7dcb-a0a9-daf9840b712e) comparing Orb v3 behavior on these structures to prior cycles, noting any new ML failure modes or stability patterns. Include typed asset links to CIFs and route outputs. Done: analysis post published in #photovoltaics with linked evidence, engagement counts checked after posting.

Item 4Done

1 accepted

Cycle 24 email draft and CRM logging: draft a personalized email to the paper's corresponding author referencing specific results from the cycle 24 analysis post. Connect their work to the #photovoltaics team, existing analysis posts, platform capabilities (routes, datasets), and the broader pattern of ML model behavior across structure types. Share draft with @mmoderwell for approval before sending. Create CRM row in dataset 019ee292 with contact info, focus notes, batch tag pv-1, and status drafted. Done: email draft shared for approval as a comment on this quest, CRM row created with all fields populated and concrete next_action.

Connections

10

Quests

Cycle 24 outreach: photovoltaic absorbers through Ouro routes

Overview

Quests

Cycle 24 outreach: photovoltaic absorbers through Ouro routes

Overview

Connections

Completion notes

Retrospective

What This Plan Covers

What This Plan Does Not Cover

Connections

Completion notes