README.md

Python Integration demo

This demo shows how to use the qsharp.chemistry module to load a Broombridge schema file into Python, encode it and simulate its evolution using Trotterization in Q#.

Detailed information of what you can do using the chemistry module can be found inside chemistry_sample.py.

Pre-reqs

This module depends on having Python, the qsharp module, and the IQ# kernel installed on your machine. For detailed installation instructions, please visit https://docs.microsoft.com/azure/quantum/install-python-qdk

Running the demo

From a command line, run:

python chemistry_sample.py

The first time you run the sample you might see errors like this when the script starts:

fail: Microsoft.Quantum.IQSharp.Workspace[0]
      QS5022: No identifier with that name exists.

these are known and are safe to ignore.

If the script runs successfully, you should see this message in the output.

Trotter simulation complete. (phase, energy): (-0.4150803744654529, -1.1365353821636321)