Stage 2: Federated Agent Execution

Cross-institutional agent execution under federated identity and policy.

Task

Execute agentic applications that invoke tools and workflows on DOE HPC resources under federated identity and policy.

Why This Matters

Scientific workflows often span multiple facilities. Academy provides secure, auditable tool invocation across institutional boundaries—agents authenticate once and access resources anywhere in the federation.

Details

Aspect	Value
CAF Components	LangGraph, Academy
Where it runs	DOE HPC systems (Polaris, Aurora, Perlmutter, Frontier)
Scale	Multi-agent, multi-resource
Status	Mature

Architecture

┌────────────┐          ┌─────────────────────┐
│ Agent Host │          │    DOE HPC System   │
│            │          │                     │
│ ┌───────┐  │  secure  │ ┌───────┐ ┌──────┐ │
│ │ Agent │──┼─────────▶│ │Academy│─▶│Tools │ │
│ └───┬───┘  │ federated│ └───────┘ └──────┘ │
│     │      │ identity │                     │
│     ▼      │          │ ┌─────────────────┐ │
│ ┌───────┐  │          │ │ Compute Nodes   │ │
│ │  LLM  │  │          │ └─────────────────┘ │
│ └───────┘  │          └─────────────────────┘
└────────────┘

Code

• CharacterizeChemicals — Molecular property calculations via RDKit and xTB

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