.. _getting_started:

***************
Getting Started
***************

Overview
--------
**QuackQuack** stands for **Qua**\ntum **C**\hemistry on a **Qua**\ntum **C**\omputer. The long-term goal of this project is to implement algorithms for electronic structure calculations on molecules that can be run efficiently on a quantum computer. The following road map is envisaged:

1. compilation of single and controlled qubit gates, 
   which form the basic building blocks of many quantum circuits, 
   into a sequence of fault-tolerant gates - DONE
2. implement quantum circuit of the propagator :math:`U = e^{i H t}` 
   for a molecular Hamiltonian in second quantized form 
   :math:`H =\sum_{p,q} h_{pq} a_p^{\dagger} a_q + \frac{1}{2} \sum_{p,q,r,s} h_{pqrs} a_p^{\dagger} a_q^{\dagger} a_r a_s` with the help of the 
   Trotter decomposition and the Wigner-Jordan transformation [1]_. - TODO
3. implement iterative phase estimation algorithm to find eigen energies   by successive application of the propagator and Fourier transformation [2]_ [3]_. - TODO 
4. compile quantum circuit for a small molecule and simulate it on a classical computer. - TODO

.. [1] Whitfield, Biamonte and Aspuru-Guzik, "Simulation of Electronic Structure Hamiltonians Using Quantum Computers", arXiv:1001.3855v3 [quant-ph]
.. [2] Aspuru-Guzik et.al., "Simulated Quantum Computation of Molecular Energies", Science 9 September 2005: Vol. 309 no. 5741 pp. 1704-1707 DOI: 10.1126/science.1113479 
.. [3] B.P. Lanyon et.al., "Towards quantum chemistry on a quantum computer",     Nature Chemistry 2, 106–111 (2010) doi:10.1038/nchem.483

Prerequisites
-------------

 - python (tested with version 2.7.3)
 - numpy (tested with version 1.6.1)
.. - mpmath (optional)

Download
--------

https://sourceforge.net/projects/quackquack/files/

.. _installation:

Installation
------------
Type the following commands::

 tar -xvf QuackQuack-x.x.x.tar.gz
 cd QuackQuack-x.x.x
 python setup.py install --user

Disclaimer
----------
The code may well contain bugs and even conceptual mistakes.