learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Perform iterative, deep, and comprehensive literature research on a specific materials/chemistry topic.
not rated 158 today A 24 tokens
original MIT
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learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Review a manuscript or code repository for FAIR data compliance (Findable, Accessible, Interoperable, Reusable), producing a structured report with pass/fail per principle and actionable remediation steps.
not rated 158 today A 44 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Search for patents by keyword, material name, or assignee using free data sources (Google Patents).
not rated 158 today A 27 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Act as a reviewer to critically review research plans, manuscripts, or task summaries, pointing out missing baselines, statistical flaws, and weak assumptions.
not rated 158 today A 33 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Extract continuous X-Y data from experimental spectrum images (Raman, XRD, UV-Vis, IR, etc.) via hybrid VLM + CV pipeline and agent-in-the-loop workflow.
not rated 158 today A 44 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Generate and iteratively refine PowerPoint presentations from simulation results using python-pptx.
not rated 158 today A 21 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Reference guide for energy, force, and stress units across MLIPs, DFT codes, and ASE, including conversion factors.
not rated 158 today A 30 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Find relevant simulation workflows in the in-house literature database.
not rated 158 today A 18 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Hierarchically decompose high-level scientific workflows (from literature or user-proposed) into executable sequences of existing SKILLs and MCP tools for the research plan.
not rated 158 today A 39 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Generate amorphorized structures from crystalline starting points using a melt-quench MD protocol.
not rated 158 today A 23 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods.
not rated 158 today A 33 tokens
original MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Calculate temperature-dependent thermodynamic properties like Equilibrium Phase Fractions for a specific alloy composition using CALPHAD models.
not rated 158 today A 31 tokens
original MIT
mat-db-mp
61learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Query Materials Project database for crystal structures, computed properties, elastic/magnetic data, and structurally similar materials using the MP API.
not rated 158 today A 31 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Query the NIST Chemistry WebBook (which includes JANAF thermochemical tables) for standard experimental thermochemistry properties.
not rated 158 today A 30 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Query the Crystallography Open Database (COD) and other OPTIMADE-compliant databases for experimental crystal structures.
not rated 158 today A 29 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Calculate charged defect formation energies and transition level diagrams using pymatgen-analysis-defects and atomate2 VASP workflows.
not rated 158 today A 31 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Calculate point-defect formation energies (vacancies, substitutions, interstitials) using MLIPs.
not rated 158 today A 25 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Computes electron-phonon coupling to calculate temperature-dependent bandgap renormalization using atomate2.
not rated 158 today A 30 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Compute electronic transport properties (mobility, conductivity, Seebeck coefficient) using DFT and AMSET via atomate2.
not rated 158 today A 34 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Calculate the spontaneous ferroelectric polarization across a non-polar to polar structure transition using the Berry Phase method.
not rated 158 today A 29 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Construct computational flows for VASP electronic structure projection via LOBSTER to calculate chemical bonding insights (COHP, atomic charges, DOS).
not rated 158 today A 34 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Energy corrections needed when using certain MLIPs for phase diagram construction / formation energy calculations.
not rated 158 today A 25 tokens
MIT
mat-dft-vasp
71learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Prepare VASP input files, run DFT calculations (locally or remotely via atomate2), and parse VASP output results.
not rated 158 today A 34 tokens
MIT
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Calculate frequency-dependent dielectric response using atomate2 OpticsMaker and VASP.
not rated 158 today A 22 tokens
MIT
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