{
  "id": "lib-process:materials-science--molecular-dynamics",
  "_kind": "LibraryProcess",
  "_file": "generated-library/processes.yaml",
  "_cluster": "generated-library",
  "attributes": {
    "displayName": "domains/science/materials-science/molecular-dynamics",
    "description": "Molecular Dynamics Simulation - Execute MD simulations for thermal transport, mechanical deformation,\ndiffusion, and phase transformation kinetics using LAMMPS.",
    "libraryPath": "library/specializations/domains/science/materials-science/molecular-dynamics.js",
    "specialization": "materials-science",
    "references": [
      "- LAMMPS: https://www.lammps.org/",
      "- ASE: https://wiki.fysik.dtu.dk/ase/",
      "- OVITO: https://www.ovito.org/",
      "- OpenKIM: https://openkim.org/"
    ],
    "example": "const result = await orchestrate('domains/science/materials-science/molecular-dynamics', {\n  materialId: 'MAT-002',\n  simulationType: 'thermal-conductivity',\n  temperature: 300,\n  potential: 'eam'\n});",
    "usesAgents": [
      "md-specialist",
      "potential-specialist",
      "md-calculator",
      "md-equilibration-specialist",
      "thermal-transport-specialist",
      "mechanical-md-specialist",
      "diffusion-md-specialist",
      "phase-transformation-specialist",
      "trajectory-analyst",
      "visualization-specialist",
      "technical-writer"
    ]
  },
  "outgoingEdges": [
    {
      "from": "lib-process:materials-science--molecular-dynamics",
      "to": "skill-area:data-analysis",
      "kind": "lib_requires_skill_area",
      "attributes": {
        "weight": 1
      }
    },
    {
      "from": "lib-process:materials-science--molecular-dynamics",
      "to": "skill-area:statistical-analysis",
      "kind": "lib_requires_skill_area",
      "attributes": {
        "weight": 0.7
      }
    },
    {
      "from": "lib-process:materials-science--molecular-dynamics",
      "to": "skill-area:mathematical-reasoning",
      "kind": "lib_requires_skill_area",
      "attributes": {
        "weight": 0.5
      }
    },
    {
      "from": "lib-process:materials-science--molecular-dynamics",
      "to": "domain:materials-science",
      "kind": "lib_applies_to_domain",
      "attributes": {
        "weight": 1
      }
    },
    {
      "from": "lib-process:materials-science--molecular-dynamics",
      "to": "role:research-engineer",
      "kind": "lib_involves_role",
      "attributes": {
        "weight": 1
      }
    },
    {
      "from": "lib-process:materials-science--molecular-dynamics",
      "to": "workflow:experiment-design",
      "kind": "lib_implements_workflow",
      "attributes": {
        "weight": 1
      }
    },
    {
      "from": "lib-process:materials-science--molecular-dynamics",
      "to": "specialization:materials-science",
      "kind": "lib_belongs_to_specialization",
      "attributes": {
        "weight": 0.9
      }
    },
    {
      "from": "lib-process:materials-science--molecular-dynamics",
      "to": "lib-agent:meta--technical-writer",
      "kind": "uses_agent",
      "attributes": {
        "weight": 0.8
      }
    }
  ],
  "incomingEdges": []
}