Quantum Computation¶

Run Qiskit VQE/VQD on Wannier tight-binding Hamiltonians from JARVIS-DFT using statevector simulator. EfficientSU2 (circuit6) ansatz. Full bandstructure via JARVIS get_bandstruct.

Open App

Overview¶

Run Qiskit VQE/VQD on Wannier tight-binding Hamiltonians from JARVIS-DFT using statevector simulator. EfficientSU2 (circuit6) ansatz. Full bandstructure via JARVIS get_bandstruct.

Data Source

JARVIS-WTB + Qiskit

Endpoints¶

GET /quantum
GET /quantum/materials
POST /quantum/vqe
POST /quantum/bandstructure

Request Models: VQERequest, BandstructureRequest

Authentication

All POST endpoints require Authorization: Bearer YOUR_TOKEN.

API Example¶

import requests

response = requests.post(
    "https://atomgpt.org/quantum/vqe",
    headers={
        "Authorization": "Bearer sk-XYZ",
        "accept": "application/json",
        "Content-Type": "application/json",
    },
    json={"jid": "JVASP-816", "kpoint": [0.5, 0.0, 0.5], "ham_type": "electron", "reps": 2},
)
data = response.json()
print(data)

AGAPI Agent¶

from agapi.agents import AGAPIAgent
import os

agent = AGAPIAgent(api_key=os.environ.get("AGAPI_KEY"))
response = agent.query_sync("Show quantum computation for Silicon")
print(response)

Reference¶

J. Phys.: Condens. Matter 33, 385501 (2021)