Welcome to QuChem’s documentation!

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quchem is a python library for quantum chemistry VQE simulations.

The quchem module:

  • Uses Psi4 to obtain the molecular Hamiltonian of a system of interest
  • The openfermion library converts this to a qubit Hamiltonian
    • Currently only the Jordan-Wigner transform is used
  • Google’s cirq library is used to build quantum circuits
    • Hartree-Fock (HF) + Unitary Coupled Cluster Single Double (UCCSD) excitations are currently used as the Ansatz
    • Each quantum circuit is simulated using a wrapper for cirq’s simulator.
Documentation Status

To Install

quchem is a pure python package. The code is hosted on github and if the dependencies are satisfied, a development version can be installed directly by cloning the github repo:

git clone https://github.com/AlexisRalli/VQE-code.git

and running:

python setup.py develop

Indices and tables