heshamfs

heshamfs/materials-simulation-skills

24 resources in this repository

GitHub
🎯24

🎯Skills24

🎯nonlinear-solvers🎯Skill

Part of an open-source agent skills library for computational materials science, providing AI agents with domain expertise in numerical methods, simulation workflows, HPC deployment, and verification and validation techniques.

nonlinear-solvers
🎯simulation-orchestrator🎯Skill

Orchestrates computational materials science simulations including molecular dynamics, DFT calculations, and finite element analysis using open-source scientific computing tools.

simulation-orchestrator
🎯numerical-stability🎯Skill

An agent skill for computational materials science that performs CFL/Fourier analysis, von Neumann stability checks, stiffness detection, and matrix conditioning. Part of a 23-skill collection covering numerical methods, simulation workflows, HPC deployment, and verification for scientific computing.

numerical-stability
🎯mesh-generation🎯Skill

Open-source agent skill for computational materials science and numerical simulation workflows, giving AI coding agents domain expertise in numerical methods, simulation best practices, and scientific computing.

mesh-generation
🎯numerical-integration🎯Skill

An agent skill for computational materials science that provides quadrature rule selection, error estimation, and adaptive stepping for numerical integration workflows in simulation pipelines.

numerical-integration
🎯post-processing🎯Skill

Part of the Materials Simulation Skills collection, this skill provides post-processing workflows for computational materials science simulations, covering data extraction, analysis, and visualization of results.

post-processing
🎯parameter-optimization🎯Skill

A collection of open-source agent skills for computational materials science and numerical simulation, covering core numerical methods, simulation workflows, HPC deployment, verification and validation, and data management.

parameter-optimization
🎯linear-solvers🎯Skill

Part of the Materials Simulation Skills collection, providing AI coding agents with domain expertise in numerical methods, simulation workflows, HPC deployment, and verification for computational materials science.

linear-solvers
🎯slurm-job-script-generator🎯Skill

A skill for generating SLURM job scripts as part of the Materials Simulation Skills collection, which provides AI agents with domain expertise in computational materials science, numerical methods, HPC deployment, and verification/validation workflows.

slurm-job-script-generator
🎯simulation-validator🎯Skill

Provides 23 skills with 73 validated Python scripts that give AI agents domain expertise in computational materials science, including numerical stability analysis, mesh generation, convergence studies, and HPC deployment.

simulation-validator
🎯differentiation-schemes🎯Skill

An agent skill for finite difference stencil generation, truncation error analysis, and numerical scheme comparison in computational materials science simulations.

differentiation-schemes
🎯time-stepping🎯Skill

Part of a materials simulation skills collection with 23 skills and 73 validated Python scripts for computational materials science. Teaches AI agents domain knowledge in numerical methods, simulation best practices, and scientific computing workflows.

time-stepping
🎯performance-profiling🎯Skill

An Agent Skills collection for computational materials science, providing domain expertise in numerical methods, simulation workflows, HPC deployment, and verification and validation for scientific computing projects.

performance-profiling
🎯convergence-study🎯Skill

Open-source agent skills for computational materials science and numerical simulation workflows, giving AI coding agents domain expertise in numerical methods, simulation best practices, and scientific computing. Compatible with Claude Code, Codex, Gemini CLI, Cursor, and 20+ other tools.

convergence-study
🎯ontology-mapper🎯Skill

Open-source agent skills for computational materials science and numerical simulation, providing domain expertise in numerical methods, simulation best practices, HPC deployment, and verification workflows with validated Python scripts.

ontology-mapper
🎯ontology-validator🎯Skill

Open-source agent skills for computational materials science and numerical simulation workflows, providing AI coding agents with domain expertise in numerical methods, simulation best practices, HPC deployment, verification/validation, and scientific computing ontologies.

ontology-validator
🎯ontology-explorer🎯Skill

Agent skills for computational materials science and numerical simulation workflows, covering CFL stability checks, grid convergence analysis, HPC deployment, and verification/validation. Each skill includes validated Python scripts for reproducible results.

ontology-explorer
🎯md-analysis-planner🎯Skill

Open-source agent skills for computational materials science, providing AI coding agents with domain expertise in numerical methods, simulation workflows, HPC deployment, and verification and validation practices.

md-analysis-planner
🎯hpc-runtime-doctor🎯Skill

Agent skills for computational materials science and numerical simulation workflows, covering numerical stability checks, grid convergence analysis, HPC deployment, and verification and validation. Includes validated Python scripts for reproducible scientific computing results.

hpc-runtime-doctor
🎯benchmark-and-mms-planner🎯Skill

Open-source agent skills for computational materials science and numerical simulation workflows, covering core numerical methods, simulation workflows, HPC deployment, verification and validation, and data management.

benchmark-and-mms-planner
🎯simulation-failure-triage🎯Skill

Open-source agent skills for computational materials science and numerical simulation workflows, providing AI coding agents with domain expertise in numerical methods, simulation best practices, HPC deployment, verification and validation, and scientific data management.

simulation-failure-triage
🎯fair-simulation-packager🎯Skill

Open-source agent skills for computational materials science, providing AI coding assistants with expertise in numerical methods, simulation workflows, HPC deployment, and verification/validation. Compatible with Claude Code, Codex, Gemini CLI, and Cursor.

fair-simulation-packager
🎯workflow-engine-mapper🎯Skill

Agent skills for computational materials science and numerical simulation, providing domain expertise in numerical methods, CFL stability checks, grid convergence, and HPC deployment. Includes validated Python scripts for reproducible results.

workflow-engine-mapper
🎯skill-evaluator🎯Skill

Skill

skill-evaluator