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HeshamFS/materials-simulation-skills

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Materials Simulation Skills: check numerical simulation workflows

A collection of domain instructions and Python tools for numerical methods and computational materials science. Tasks include stability and convergence checks, simulation studies, result analysis and reproducibility.

Uses

Choose the individual Skill that matches the scientific question. The README separates core numerical methods, simulation workflows, HPC deployment, validation, data management and materials ontology tasks.

How to use

Describe the simulation problem and provide the relevant quantities or outputs. One source-provided starting request is:

Use convergence-study to check if my mesh is in the asymptotic range:
h = 0.4, 0.2, 0.1 gave stress = 98.5, 99.6, 99.9 MPa.

For a parameter campaign, the verified simulation-orchestrator example instead gathers a base config, parameter ranges, sampling method, output directory and external solver command.

Limitations

Conditions and tools depend on the selected Skill. The inspected orchestrator generates configurations and aggregates results; it does not submit scheduler jobs or run the simulations for the user. Its tracking file alone is not proof of a successful physical simulation. The README’s test and evaluation claims are the project’s reports, rather than a guarantee for a user’s solver.

Publications

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Hesham salama
Hesham salama
@heshamfsalama
DiscussionSimulation des matériaux
Résumé de la publication · anglais

The author shares materials-simulation-skills after its inclusion in Kimi’s Claude Code collection. The repository gives agents instructions for numerical stability, convergence and simulation workflows, with the stated aim of getting the simulation right rather than merely running the code.

Skills dans ce dépôt

Affichage de 3 skills collectés sur 3.

métier
Autres occupations informatiques
description

Rigorously evaluate an Agent Skill end-to-end across ANY coding-agent CLI — verify its scripts emit the documented numbers (deterministic checks), test whether its description triggers on the right prompts, and measure whether an agent following the SKILL.md…

Langue du texte source : anglais

mis à jour
métier
Ingénieurs, autres
description

Identify computational bottlenecks, analyze parallel scaling, estimate memory requirements, and generate optimization recommendations for materials simulations — parse timing logs to find dominant phases (solver, assembly, I/O), evaluate strong and weak…

Langue du texte source : anglais

mis à jour
métier
Développeurs de logiciels
description

Validate simulations across three stages — run pre-flight checks on configuration files (parameter ranges, required fields, disk space), monitor runtime logs for residual growth, NaN/Inf, and adaptive dt collapse, and perform post-flight validation of results…

Langue du texte source : anglais

mis à jour
Affichage de 3 skills collectés sur 3.

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