Skill collection · HeshamFS
materials-simulation-skills agent skills by HeshamFS
24 skills from HeshamFS/materials-simulation-skills are listed in the directory, across 2 categories. 12 skills have a full page with install steps and a pre-install summary.
View HeshamFS/materials-simulation-skills on GitHub
At a glance
| Publisher | HeshamFS |
|---|---|
| Repository | github.com/HeshamFS/materials-simulation-skills |
| Listed skills | 24 |
| Security scan | Not scanned |
| Categories | Science and Research, AI Agents and LLM Engineering |
| License | Apache-2.0 |
| Last commit | June 25, 2026 |
| Install every skill | npx skills add https://github.com/HeshamFS/materials-simulation-skills |
| README badge | Get the badge for this listing |
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This general badge links to the repository listing. For the two quality badges and feature offer, choose Get badges beside a skill below. Each skill keeps its own score and grade.
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<a href="https://skills.suedeai.ai/directory/heshamfs/materials-simulation-skills/"><img src="https://skills.suedeai.ai/directory/heshamfs/materials-simulation-skills/badge.svg" alt="Suede Skills Directory: listed" height="20"></a>Limited-time feature offer: display either the numeric or letter badge in your repository or skill README (both also qualify), then request badge verification. Eligible skills scoring 80–99 can receive a featured placement after Suede verifies at least one valid badge linked to the skill’s listing. Suede has not announced an end date.
Skills in HeshamFS/materials-simulation-skills
Linked names open the skill's directory page; the rest open the skill folder on GitHub. Descriptions on rows without a page are quoted from each SKILL.md.
| Skill | Category | What it does |
|---|---|---|
| convergence-study 84/100 · B | Science | Performs spatial and temporal convergence analysis for numerical solutions, computing observed convergence orders, Richardson extrapolation, and Grid Convergence Index per ASME V&V 20. |
| differentiation-schemes 82/100 · B | Science | Selects and applies numerical differentiation schemes for PDE and ODE discretization, including finite-difference stencils, central, upwind, compact and spectral methods. |
| hpc-runtime-doctor 85/100 · B | Science | Diagnoses HPC runtime and scheduler problems for already-submitted materials simulation jobs that failed, ran slowly, were killed, or behaved differently on a cluster. |
| linear-solvers 82/100 · B | Science | Selects and configures linear solvers for Ax=b systems, covering direct and iterative methods, preconditioners, sparsity and conditioning analysis, and diagnosing convergence stagnation. |
| mesh-generation 82/100 · B | Science | Plans and evaluates mesh generation for numerical simulations, covering grid resolution, mesh quality checks, and structured, unstructured, or adaptive refinement choices. |
| nonlinear-solvers 82/100 · B | Science | Selects and configures nonlinear solvers for root-finding, optimization, and least-squares problems, including Newton variants, quasi-Newton methods, globalization, and convergence rate diagnosis. |
| numerical-integration 82/100 · B | Science | Selects and configures time integration methods for ODE and PDE simulations, including error tolerances, adaptive step-size control, and IMEX operator splitting. |
| numerical-stability 84/100 · B | Science | Analyzes numerical stability for time-dependent PDE simulations, covering CFL and Fourier criteria, von Neumann analysis, stiffness detection, and explicit versus implicit time-stepping recommendations. |
| ontology-explorer 82/100 · B | Science | Parses, navigates, and queries materials science ontology structures, including class hierarchies, property definitions, term search, and OWL/XML summaries, currently for CMSO and ASMO. |
| ontology-mapper 82/100 · B | Science | Maps materials science terms, crystal structures, and sample descriptions to standardized ontology classes and properties, producing ontology-compliant annotations and sample metadata. |
| ontology-validator 82/100 · B | Science | Validates material sample annotations against ontology constraints, checking that terms exist, relationships are consistent, and required properties are present. |
| parameter-optimization 82/100 · B | Science | Explores and optimizes simulation parameters using design of experiments, sensitivity analysis, optimizer selection, and surrogate models, including parameter sweep planning. |
| benchmark-and-mms-planner 81/100 · B | Science | Plan verification and validation campaigns for simulation codes using manufactured solutions, canonical benchmark problems, grid/time refinement…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
| fair-simulation-packager 73/100 · C | Science | Create FAIR-minded reproducibility bundles for materials simulations by collecting input/output file inventories, hashes, units, engine versions… |
| md-analysis-planner 73/100 · C | Science | Plan molecular dynamics post-processing for materials simulations, including RDF, MSD and diffusion, VACF/VDOS, coordination numbers, bond-angle… |
| performance-profiling 82/100 · B | Science | Identify computational bottlenecks, analyze parallel scaling, estimate memory requirements, and generate optimization recommendations for materials…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
| post-processing 82/100 · B | Science | Extract, analyze, and summarize simulation output data — pull spatial fields at specific timesteps, compute time-series trends and detect steady…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
| simulation-failure-triage 74/100 · C | Science | First-response triage for cross-code (LAMMPS/VASP/QE/MOOSE) simulation failures: classifies the failure signature (nonconvergence, NaN/Inf… |
| simulation-orchestrator 82/100 · B | Science | Orchestrate multi-simulation campaigns — generate parameter sweep configurations (grid, linspace, or Latin Hypercube sampling), initialize and track…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
| simulation-validator 82/100 · B | Science | Validate simulations across three stages — run pre-flight checks on configuration files (parameter ranges, required fields, disk space), monitor…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
| skill-evaluator 84/100 · B | AI agents | Rigorously evaluate an Agent Skill end-to-end across ANY coding-agent CLI — verify its scripts emit the documented numbers (deterministic checks)…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
| slurm-job-script-generator 82/100 · B | Science | Generate correct, copy-pasteable SLURM sbatch job scripts and sanity-check HPC resource requests — configure nodes, MPI tasks, OpenMP threads…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
| time-stepping 84/100 · B | Science | Plan and control time-step policies for transient simulations — couple CFL and physics-based stability limits with adaptive stepping, ramp initial…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
| workflow-engine-mapper 81/100 · B | Science | Map computational materials tasks onto workflow engines such as atomate2, jobflow, AiiDA, pyiron, or a simple one-off script. Use when deciding how…Get badges  Choose the numeric badge, the letter badge, or both. Each links to this skill’s Suede listing; either valid linked badge can qualify for the feature offer. Markdown HTML |
Where this repository is cited
HeshamFS/materials-simulation-skills appears in 2 curated lists: BehiSecc/awesome-claude-skills, VoltAgent/awesome-agent-skills.