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Qiskit -Nature

The main cloud application that uses superconducting qubits is qisket. Qisket Nature depends on the main package.

• Thermodynamic observable calculations with IBM quantum

Installation

pip install qiskit[nature]

Further instructions can be read here. Installed via xonsh.

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For hydrogen storage notebook --> use the ground state solver docs:

1. Define a molecular system:

Ask for the electronic part of a hydrogen molecule:

from qiskit import Aer
from qiskit_nature.drivers import UnitsType, Molecule
from qiskit_nature.drivers.second_quantization import (
    ElectronicStructureDriverType,
    ElectronicStructureMoleculeDriver,
)
from qiskit_nature.problems.second_quantization import ElectronicStructureProblem
from qiskit_nature.converters.second_quantization import QubitConverter
from qiskit_nature.mappers.second_quantization import JordanWignerMapper

molecule = Molecule(
    geometry=[["H", [0.0, 0.0, 0.0]], ["H", [0.0, 0.0, 0.735]]], charge=0, multiplicity=1
)
driver = ElectronicStructureMoleculeDriver(
    molecule, basis="sto3g", driver_type=ElectronicStructureDriverType.PYSCF
)

es_problem = ElectronicStructureProblem(driver)
qubit_converter = QubitConverter(JordanWignerMapper())

2. Define solver:

A solver aka the algorithm that the ground state is computed with. In chemistry the gound state is found with variational quantum eignesolver (VQE)

3.