Replicate and Certify a Quantum Chemistry Result: Exact-Gate Bond Curves with Lean Proofs

Name: Replicate and Certify a Quantum Chemistry Result: Exact-Gate Bond Curves with Lean Proofs
Brand: AgentPMT
SKU: 6ada7c48e001971070f3313a
Price: 0.45 USD
Availability: InStock

Saves ~4 hr

Details

Finds recent quantum-chemistry papers with Valency, rebuilds the reported molecule in Chemistry Studio and checks the paper's numbers (geometry, reference state, energies) against exact calculations. It then models the chemical bond as a potential energy curve with exact-gate quantum circuits. For each bond length it runs a classical precision budget (how finely rotation angles must be set to reach chemical accuracy), synthesizes an exact Clifford+T circuit in the Math Engine wherever the angles need finer phases, runs a Qiskit Aer simulation with energies from measurement counts, exports OpenQASM 3 and Qiskit programs, and issues Lean-kernel certificates (qpcert) for every circuit on the curve. The report states exactly what is proven (circuit properties) and what is not (the chemistry). Built for replication studies, method papers and teaching, using molecules such as LiH.

Tools In This Workflow

Context Documents

PR
Proof-Carrying Quantum Chemistry Rules
Verified rules for a proof-carrying quantum chemistry workflow: Valency paper search, Chemistry Studio Hamiltonians and replication checks, exact-gate state preparation with precision budgets, certified Clifford+T synthesis, Qiskit Aer simulation, OpenQASM/Qiskit export and Lean-kernel certificates.
CE
Certified Clifford+T Synthesis for Exact-Gate Chemistry Circuits
A verified one-expression Complex Mathematics Engine template that turns any 2-qubit molecular ground state into an exact Clifford+T circuit, so the Quantum Circuit Builder with Proof can kernel-certify its exact unitary at any precision.

Workflow Steps

1Set the Research Question
2Find Recent Papers
3Shortlist Reproducible Papers
4Read the Full Text
5Extract the Paper's Inputs and Claims
6Reproduce the Chemistry Independently
7Check the Paper's Numbers
8Compute the Reference Bond Curve
9For Each Bond Length
10Build the Qubit Hamiltonian
11Exact State and Precision Budget
12Certified Clifford+T Synthesis
13Simulate, Export and Certify the Circuits
14Energy from Measurement Counts
15Assemble the Bond Curve and Proof Summary
16Save the Report and Data
17Report to the User

Step 1 of 17

Prompt1

Set the Research Question

Goal: Turn the user's request into a concrete replication target and literature search plan. | Inputs: The user's message. It may name a molecule or topic, a paper ID, a recency window or a bond-length range. | Outputs: A short plan with these items: - the molecule(s) - 2-3 search queries - the date window (default: last 12 months) - sources (default: arxiv and chemrxiv) - any paper ID the user supplied - the bond-length range if the user gave one | Constraints: Follow the attached context document 'Proof-Carrying Quantum Chemistry Rules'. Never invent paper IDs, geometries or numbers. Circuits are limited to 4 qubits or fewer. Classical replication may use larger active spaces. | Success criteria: The plan is specific enough to run the search without asking again.

Tool2

Find Recent Papers

If the user supplied a paper ID, call get_paper_by_id. Otherwise call semantic_search_papers once per query with start_date set to the plan's window, limit 25, include_abstract true, enrich_citations false and max_authors 5. Add one search_by_abstract call with the molecule name. Keep id, title, first-available date, source, url and abstract for each paper, and pass them to the shortlist step.

How do I connect this workflow to my local agent like OpenClaw or Claude Code?

You can install the local MCP server by opening a terminal and running:

Install commands

npm install -g @agentpmt/mcp-router
agentpmt-setup

This will connect you to local agents like Claude Code, Windsurf, Grok Build, Cursor, etc.

Alternatively you can connect to the hosted version with this config block, no installation required:

Hosted MCP config

{
  "mcpServers": {
    "agentpmt": {
      "type": "streamable-http",
      "url": "https://api.agentpmt.com/mcp",
      "headers": {
        "Authorization": "Bearer <AGENTPMT_BEARER_TOKEN>",
        "x-instance-metadata": "{\"client\":\"generic-mcp\",\"platform\":\"remote\"}"
      }
    }
  }
}

View MCP Connection Instructions for more details.

How do I trigger this workflow?

You can use it here in the browser by clicking the 'Try It' button.

If you 'star' the workflow it will save to your dashboard for quick access.

To use the workflow in an external agent, make sure you have followed the steps to connect it to the MCP server and then copy / paste this prompt, or just tell it to use the AgentPMT MCP server and use this workflow.

Agent prompt

Call the AgentPMT-Workflow-Skills tool with action 'get_workflow_skill' and skill_id 6ada7c48e001971070f3313a ("Replicate and Certify a Quantum Chemistry Result: Exact-Gate Bond Curves with Lean Proofs").