{
  "id": "lib-process:nanotechnology--molecular-dynamics-simulation",
  "_kind": "LibraryProcess",
  "_file": "generated-library/processes.yaml",
  "_cluster": "generated-library",
  "attributes": {
    "displayName": "molecular-dynamics-simulation",
    "description": "Molecular Dynamics Simulation Workflow - Execute molecular dynamics simulations of\nnanoscale systems including force field selection, system equilibration, production runs,\ntrajectory analysis, and property extraction with validation against experimental benchmarks\nand iterative parameter refinement.",
    "libraryPath": "library/specializations/domains/science/nanotechnology/molecular-dynamics-simulation.js",
    "specialization": "nanotechnology",
    "references": [
      "- LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator): https://www.lammps.org/\n- GROMACS: https://www.gromacs.org/\n- OVITO (Open Visualization Tool): https://www.ovito.org/"
    ],
    "example": "const result = await orchestrate('specializations/domains/science/nanotechnology/molecular-dynamics-simulation', {\n  system: { type: 'nanoparticle-in-solvent', nanoparticle: 'Au', solvent: 'water', npSize: 3 },\n  simulationGoals: ['diffusion-coefficient', 'radial-distribution', 'thermal-properties'],\n  forceFieldPreference: 'embedded-atom',\n  computationalResources: { cores: 64, gpus: 4, walltime: '72h' }\n});",
    "usesAgents": [
      "md-specialist",
      "force-field-specialist",
      "system-builder",
      "minimization-specialist",
      "equilibration-specialist",
      "npt-specialist",
      "equilibration-analyst",
      "production-specialist",
      "trajectory-analyst",
      "property-extractor",
      "statistician",
      "validation-specialist",
      "technical-writer"
    ]
  },
  "outgoingEdges": [
    {
      "from": "lib-process:nanotechnology--molecular-dynamics-simulation",
      "to": "skill-area:mathematical-reasoning",
      "kind": "lib_requires_skill_area",
      "attributes": {
        "weight": 1
      }
    },
    {
      "from": "lib-process:nanotechnology--molecular-dynamics-simulation",
      "to": "skill-area:physics-simulation",
      "kind": "lib_requires_skill_area",
      "attributes": {
        "weight": 0.7
      }
    },
    {
      "from": "lib-process:nanotechnology--molecular-dynamics-simulation",
      "to": "skill-area:data-analysis",
      "kind": "lib_requires_skill_area",
      "attributes": {
        "weight": 0.5
      }
    },
    {
      "from": "lib-process:nanotechnology--molecular-dynamics-simulation",
      "to": "domain:nanotechnology",
      "kind": "lib_applies_to_domain",
      "attributes": {
        "weight": 1
      }
    },
    {
      "from": "lib-process:nanotechnology--molecular-dynamics-simulation",
      "to": "role:research-engineer",
      "kind": "lib_involves_role",
      "attributes": {
        "weight": 1
      }
    },
    {
      "from": "lib-process:nanotechnology--molecular-dynamics-simulation",
      "to": "workflow:experiment-design",
      "kind": "lib_implements_workflow",
      "attributes": {
        "weight": 1
      }
    },
    {
      "from": "lib-process:nanotechnology--molecular-dynamics-simulation",
      "to": "specialization:nanotechnology",
      "kind": "lib_belongs_to_specialization",
      "attributes": {
        "weight": 0.9
      }
    },
    {
      "from": "lib-process:nanotechnology--molecular-dynamics-simulation",
      "to": "lib-agent:meta--technical-writer",
      "kind": "uses_agent",
      "attributes": {
        "weight": 0.8
      }
    }
  ],
  "incomingEdges": []
}