fl-sean03/agentic-science-worker

1

lammps-simulation Run LAMMPS molecular dynamics simulations. Use when asked to run MD simulations, energy minimization, equilibration, …

fl-sean03/agentic-science-worker

51

2

compute-validation Validate that an expensive long-running compute campaign is ready for production. Combines reasoning-based verificati…

fl-sean03/agentic-science-worker

2

3

literature-search Search and retrieve scientific literature. Use when asked to find papers, research a topic, find citations, get paper…

fl-sean03/agentic-science-worker

2

4

campaign-orchestration Orchestrate one or more long-running compute campaigns (HPC simulations, multi-stage MD pipelines, ensemble runs) whe…

fl-sean03/agentic-science-worker

1

5

data-analysis Analyze simulation data and compute properties. Use when asked to parse LAMMPS/QE output, calculate diffusion coeffic…

fl-sean03/agentic-science-worker

1

6

resource-acquisition Find and acquire computational science resources autonomously. Use when you need force field parameters, pseudopotent…

fl-sean03/agentic-science-worker

1