Skills.
Give your AI a better way to work.
A skill is a set of written instructions that teaches an AI how to do one job the way it should be done: review a pull request, plan a migration, write the release notes.
Install one here and it travels with your account into Claude, Claude Code, Cursor and every other client you sign in with.
Category: Dev tools
16,833 results · page 260 of 562
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mat-dft-mixing-functionalsSkillDev tools
Energy corrections needed when using certain MLIPs for phase diagram construction / formation energy calculations.
Ready to connect★ 164
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mat-dielectric-responseSkillDev tools
Calculate frequency-dependent dielectric response using atomate2 OpticsMaker and VASP.
Ready to connect★ 164
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mat-diffusion-analysisSkillDev tools
Calculate ionic diffusion coefficients and activation energy from MD trajectories using pymatgen.
Ready to connect★ 164
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mat-disorderSkillDev tools
Generate ordered structures from disordered starting points with partial occupancies.
Ready to connect★ 164
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mat-edi-mobilitySkillDev tools
Compute defect-limited carrier mobility and electron-defect scattering matrix elements in 2D and 3D semiconductors from first principles with Quantum ESPRESSO and the EDI plugin.
Ready to connect★ 164
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mat-elasticitySkillDev tools
Calculate the full elastic tensor and mechanical properties (bulk modulus, shear modulus, Young's modulus, Poisson's ratio) using MLIPs.
Ready to connect★ 164
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mat-electrochemical-windowSkillDev tools
Calculate the intrinsic electrochemical stability window (ECW) of a material using standard phase diagram thermodynamic methods.
Ready to connect★ 164
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mat-electronic-structureSkillDev tools
Calculate electronic band structure and density of states using atomate2 and VASP.
Ready to connect★ 164
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mat-elemental-energiesSkillDev tools
A library of ground-state element structures and their energies calculated from MLIPs. Used to calculate formation energies of compounds.
Ready to connect★ 164
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mat-epw-mobilitySkillDev tools
Compute phonon-limited carrier mobility and mode-resolved electron-phonon coupling in 2D materials from first principles with Quantum ESPRESSO and EPW.
Ready to connect★ 164
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mat-equation-of-stateSkillDev tools
Calculate equation of state (bulk modulus, equilibrium volume) using MLIPs.
Ready to connect★ 164
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mat-grain-boundarySkillDev tools
Calculate grain boundary energies for tilt/twist grain boundaries (Σ-CSL boundaries) using MLIPs; output γ_GB vs. misorientation angle curves and identify low-energy special boundaries.
Ready to connect★ 164
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mat-intercalation-voltageSkillDev tools
Calculate the average intercalation voltage of cathode materials using MLIPs.
Ready to connect★ 164
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mat-ionic-substitutionSkillDev tools
Discover new crystal structures by data-mined ionic substitution — propose candidates from existing structures (forward) or find potential structures for a target composition (reverse).
Ready to connect★ 164
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mat-kinetic-monte-carloSkillDev tools
Simulate long-time kinetics using rejection-free kinetic Monte Carlo (KMC) with event catalog construction, rate assignment via TST/Arrhenius, detailed-balance validation, superbasin handling, and transport analysis.
Ready to connect★ 164
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mat-lammps-mdSkillDev tools
Build and run LAMMPS molecular dynamics with isolated MLIP-specific binaries (MACE, MatGL/CHGNet, FairChem) to avoid Python and Torch stack conflicts.
Ready to connect★ 164
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mat-lattice-thermal-conductivitySkillDev tools
Calculate lattice thermal conductivity of materials with MLIPs.
Ready to connect★ 164
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mat-magnetic-densitySkillDev tools
Calculate magnetic moments and spin density from spin-polarized DFT calculations using VASP.
Ready to connect★ 164
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mat-md-probability-densitySkillDev tools
Calculate and visualize the probability density of diffusing ions from a Molecular Dynamics (MD) trajectory.
Ready to connect★ 164
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mat-melting-pointSkillDev tools
Calculate the melting temperature of a material using the solid-liquid interface (coexistence) method.
Ready to connect★ 164
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mat-phase-diagramSkillDev tools
Retrieve and visualize pre-computed phase diagrams from Materials Project for thermodynamic stability analysis.
Ready to connect★ 164
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mat-phase-field-conservativeSkillDev tools
Simulate conservative phase-fields (spinodal decomposition and phase separation) using the Cahn-Hilliard equation.
Ready to connect★ 164
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mat-phase-field-non-conservativeSkillDev tools
Simulate non-conservative phase-fields (grain growth and phase transformations) using the Allen-Cahn equation.
Ready to connect★ 164
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mat-phononSkillDev tools
Calculate vibrational properties (phonon dispersions, density of states, thermal properties) using MLIPs.
Ready to connect★ 164
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mat-pourbaix-diagramSkillDev tools
Calculate Pourbaix (pH-voltage) diagrams for aqueous electrochemical stability using water-corrected MLIP energies and pymatgen.
Ready to connect★ 164
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mat-qha-thermal-expansionSkillDev tools
Calculate Quasi-Harmonic Approximation (QHA) thermal properties using MLIPs.
Ready to connect★ 164
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mat-raman-spectraSkillDev tools
Calculate Raman-active phonon mode frequencies and simulate Raman spectra from MLIP phonon calculations; optionally compute full Raman intensities with DFT Born charges via atomate2.
Ready to connect★ 164
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mat-reaction-networkSkillDev tools
Predict thermodynamically optimal solid-state inorganic synthesis pathways and tabulates basic reactions.
Ready to connect★ 164
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mat-sample-pes-by-mdSkillDev tools
Sample off-equilibrium potential energy surface (PES), used for benchmarking and fine-tuning MLIPs.
Ready to connect★ 164
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mat-solid-free-energySkillDev tools
Calculate absolute solid Helmholtz free energy, and optional Gibbs free energy, with Frenkel-Ladd switching using portable MLIP wrappers on a pre-equilibrated periodic structure.
Ready to connect★ 164
What is a skill?
A skill is plain text, usually a SKILL.md file and the scripts it refers to, written for an AI rather than for a person. It carries the steps, the house rules and the examples a good answer needs, so you stop pasting the same briefing into every new chat.
53,585 of the 54,017 skills listed here can be served through ahel today, and they come from public repositories. Each one has its own page with the instructions themselves on it, so you can read what a skill will tell your AI to do before you install it.
Install one and every AI you use gets it
Installing a skill adds it to your gateway and turns it on in the same step. Claude Code surfaces it as a slash command; any client can read the full instructions with the skill_read tool.
Nothing is copied into a project folder. The instructions are served from your account, so the same skill is there in every AI you connect, and turning it off removes it from all of them at once.