Chemistry

Microsoft Quantum Chemistry Library

This folder contains the C# and Q# sources used to implement the Microsoft Quantum Chemistry library. Samples of how to use the library can be found in the Chemistry folder of the Microsoft/Quantum repository.

Building and testing

The quantum chemistry library consists of two cross-platform project built using .NET Core:

• DataModel.csproj: C# sources used to load, parse, and pre-compute Hamiltonians loaded from LIQ𝑈𝑖|〉 or Broombridge files.
• Runtime.csproj: Q# sources used to implement quantum chemistry simulation algorithms, given representations produced by the DataModel.

Once .NET Core is installed, you may build and run its tests by executing the following from a command line:

dotnet test tests

For more details about creating and running tests in Q#, see the Testing and debugging section of the developer's guide.