Getting Started¶
Overview¶
QuackQuack stands for Quantum Chemistry on a Quantum Computer. 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:
- 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
- implement quantum circuit of the propagator
for a molecular Hamiltonian in second quantized form
with the help of the
Trotter decomposition and the Wigner-Jordan transformation [1]. - TODO - implement iterative phase estimation algorithm to find eigen energies by successive application of the propagator and Fourier transformation [2] [3]. - TODO
- 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)
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.