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computational-heterogeneous-catalysis

Use this skill for end-to-end heterogeneous catalysis workflows, including proposal framing, slab and adsorbate strategy, reaction/energy evaluation, and evidence standards for comparing catalyst candidates.

Quality

76%

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tessl review fix ./skills/computational-heterogeneous-catalysis/SKILL.md
SKILL.md
Quality
Evals
Security

Quality

Content

65%Weight 40%Scale 1-5

Reviews the quality of instructions and guidance provided to agents. Good implementation is clear, handles edge cases, and produces reliable results.

A lean, well-structured orchestration skill with a clear staged workflow, but it operates almost entirely at the policy level: it tells Claude what to keep consistent and when to report, without concrete commands, examples, or named downstream skills to execute with. The missing validation checkpoints and the unnamed external dependency are the main structural gaps.

Suggestions

Make the actionability concrete: name the downstream domain skill for each stage (or point to actual bundle paths), and add one worked example — e.g., a sample catalyst/facet/run-folder naming pattern and a filled-in campaign summary matching the Output Contract.

Add explicit validation checkpoints to the workflow: e.g., after the screening tier, verify k-point/convergence and reference-state consistency across the compared set before escalating to the final-evidence tier, and a pre-reporting check that every ranking row has provenance paths.

Turn the suggested tool into executable guidance: show the actual write_note invocation(s) used to record the campaign plan and stage artifacts, so 'Record the campaign plan early' becomes a copy-ready step.

DimensionReasoningScore

Conciseness

The ~45-line body is lean and assumes Claude's domain competence — it never explains what a slab, adsorption energy, or DFT is, and every bullet is directive rather than explanatory. Only trivial redundancy exists (Quick Start bullet 3 echoes Workflow stage 3), which is not enough to drop from the 5 anchor.

5 / 5

Actionability

Some concrete guidance exists — the house default "k*a ~= 35 Å", the enumerated metric options, and the Output Contract's field list — but most of the body is abstract policy directives ("Lock the ranking metric up front", "Summarize what was compared…") with no executable commands, no example naming scheme or folder layout, and the single suggested tool `write_note` given with no invocation detail. It exceeds the minimal high-level hints of the 2 anchor but is clearly missing key details for the 4 anchor.

3 / 5

Workflow Clarity

The staged sequence is coherent and well-ordered (Quick Start 1–4, Workflow stages 1–4), but validation is only implicit — "Decide what qualifies as enough evidence to stop or escalate" names the idea without any check to run or feedback loop. Because this is a batch screening campaign, the rubric's cap for missing validation in batch operations applies, holding it at 3 despite the clear sequence.

3 / 5

Progressive Disclosure

The body is short and well-sectioned, but its one external pointer — "Load the downstream domain skill for the active stage instead of keeping all details here" — names neither the skill nor a path, and no bundle files exist to back it, making navigation to the deferred details a dead end. This matches the 3 anchor (references present but not clearly signaled) rather than 4, though the body itself is not inlining content that belongs in separate files.

3 / 5

Total

14

/

20

Passed

Description

78%Weight 40%Scale 1-5

Based on the skill's description, can an agent find and select it at the right time? Clear, specific descriptions lead to better discovery.

A strong description: third-person, concise, with an explicit trigger clause and a concrete, domain-specific capability list. Its main shortcoming is trigger coverage — it misses the common synonyms (DFT, computational catalysis, screening) that would catch more user phrasings, and the trigger is domain-level rather than task-level.

DimensionReasoningScore

Specificity

The description lists several concrete action areas — "proposal framing, slab and adsorbate strategy, reaction/energy evaluation, and evidence standards" — with minor coverage gaps (e.g., screening and reporting stages appear only in the body). These read more as stage names than the fully concrete, executable action enumeration of the 5 anchor, but they go well beyond the 1–2 actions of the 3 anchor.

4 / 5

Completeness

Both parts are explicit: the "what" is the concrete capability list (proposal framing, slab/adsorbate strategy, reaction/energy evaluation, evidence standards) and the "when" is the explicit trigger clause "Use this skill for end-to-end heterogeneous catalysis workflows". It stays at 4 rather than 5 because the trigger is domain-level only, lacking the "when the user mentions/asks…" task-level phrasing of the 5 anchor; it is well above 3 since the "when" is explicit, not weakly implied.

4 / 5

Trigger Term Quality

Natural domain keywords are present ("heterogeneous catalysis", "catalyst candidates", "slab", "adsorbate", "reaction/energy") that a catalysis researcher would actually say. Common synonyms and variations are missing — "DFT", "computational catalysis", "screening", "density functional theory" — so it falls short of the comprehensive synonym coverage of the 5 anchor.

4 / 5

Distinctiveness Conflict Risk

Terms like "heterogeneous catalysis", "slab and adsorbate strategy", and "comparing catalyst candidates" carve out a clear niche with distinct triggers and minimal conflict risk against generic chemistry, document, or code skills.

5 / 5

Total

17

/

20

Passed

Validation

93%

Checks the skill against the spec for correct structure and formatting. All validation checks must pass before discovery and implementation can be scored.

Validation — 15 / 16 Passed

Validation for skill structure

CriteriaDescriptionResult

metadata_version

'metadata.version' is missing

Warning

Total

15

/

16

Passed

Repository

fernandezbaptiste/CatMaster

Path

skills/computational-heterogeneous-catalysis/SKILL.md

Reviewed

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