Agent Skills by q734738781
Showing 20 vetted skills indexed across 1 GitHub repositories.
q734738781figure-design-and-captioning
Generate manuscript figures and captions from computational data and scripts.
q734738781scientific-section-synthesis
Draft manuscript sections with citations and a claim-to-evidence map.
q734738781paper-storyline-and-outline
Convert research dossiers into ordered paper outlines with figure and table slots.
q734738781citation-grounding-and-claim-discipline
Review manuscript text for unsupported claims and missing citations.
q734738781results-and-discussion-writing
Organize scientific findings into Results and Discussion paragraphs with distinct observations and interpretations.
q734738781methods-and-reproducibility-writing
Draft reproducible computational methods sections from research packs and workspace outputs.
q734738781achemso-latex-manuscript
Generate ACS-style LaTeX section fragments against an achemso manuscript template.
q734738781literature-grounding
Retrieve representative academic papers and citations for scientific claims.
q734738781vasp-input-preparation
Prepare VASP relaxation and single-point input trees for bulk, slab, and gas systems.
q734738781catalysis-prior-art-and-benchmarking
Compile literature benchmark papers and method-convention summaries for catalysis planning.
q734738781mace-screening-and-relaxation
Run MACE-based geometry relaxation and energy ranking on structure batches.
q734738781adsorption-site-screening
Enumerate adsorption sites and generate batch adsorbate placements for screening workflows.
q734738781thermo-free-energy-and-reporting
Convert electronic-structure outputs into comparable thermodynamic and free-energy summaries.
q734738781adsorbate-and-intermediate-generation
Generate canonical 3D molecules from SMILES for adsorption workflows.
q734738781computational-heterogeneous-catalysis
Manage end-to-end heterogeneous catalysis workflows and produce consistent campaign summaries.
q734738781transition-state-neb
Generate NEB image sets and NEB-specific INCARs for VASP pathway calculations.
q734738781vasp-batch-execution
Submit prepared VASP jobs and collect outputs with failure evidence.
q734738781structure-visual-inspection
Render four-view panels of atomic structures and inspect adsorption geometries for issues.
q734738781materials-discovery-and-bulk-selection
Search Materials Project, prune candidates, and download bulk structures with error reporting.
q734738781slab-construction-and-surface-modeling
Construct slab models and determine vacuum, thickness, and atom-fixing strategies.