parameter-optimization

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.

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

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.

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.

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

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.

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.

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.

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

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.