Simple molecular energy estimation with the Azure Quantum service

This sample demonstrates how to use Q#, Python and the Azure Quantum service together to estimate the ground state of a molecule, implemented as two Jupyter notebooks. Parts of this sample were shown in Azure Quantum's Microsoft Build 2021 session Develop and Run Quantum Algorithms on Today’s Systems with Azure Quantum.

Running the sample

To run the sample, first make sure to install all prerequisites and start a Jupyter notebook with the following command:

jupyter notebook

Open the notebooks (QuantumPhaseEstimation/Molecule.ipynb or Hamiltonian/Approximate Energy using Jordan-Wigner transformation.ipynb) and execute the cells (shift + enter) to run the sample.

To run the second notebook, make sure to first create an Azure subscription and Azure Quantum workspace. Learn more about this here: Introduction to Azure Quantum (preview).