Universal programmable quantum circuit schemes to emulate an operator

Anmer Daskin, Purdue University
Ananth Grama, Purdue University
Giorgos Kollias, Purdue University
Sabre Kais, Birck Nanotechnology Center, Purdue University

Date of this Version



J. Chem. Phys. 137, 234112 (2012)


Copyright (2012) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in J. Chem. Phys. 137, 234112 (2012) and may be found at http://dx.doi.org/10.1063/1.4772185. The following article has been submitted to/accepted by The Journal of Chemical Physics. Copyright (2012) Anmer Daskin, Ananth Grama, Giorgos Kollias and Sabre Kais. This article is distributed under a Creative Commons Attribution 3.0 Unported License.


Unlike fixed designs, programmable circuit designs support an infinite number of operators. The functionality of a programmable circuit can be altered by simply changing the angle values of the rotation gates in the circuit. Here, we present a new quantum circuit design technique resulting in two general programmable circuit schemes. The circuit schemes can be used to simulate any given operator by setting the angle values in the circuit. This provides a fixed circuit design whose angles are determined from the elements of the given matrix-which can be non-unitary-in an efficient way. We also give both the classical and quantum complexity analysis for these circuits and show that the circuits require a few classical computations. For the electronic structure simulation on a quantum computer, one has to perform the following steps: prepare the initial wave function of the system; present the evolution operator U = e-iHt for a given atomic and molecular Hamiltonian H in terms of quantum gates array and apply the phase estimation algorithm to find the energy eigenvalues. Thus, in the circuit model of quantum computing for quantum chemistry, a crucial step is presenting the evolution operator for the atomic and molecular Hamiltonians in terms of quantum gate arrays. Since the presented circuit designs are independent from the matrix decomposition techniques and the global optimization processes used to find quantum circuits for a given operator, high accuracy simulations can be done for the unitary propagators of molecular Hamiltonians on quantum computers. As an example, we show how to build the circuit design for the hydrogen molecule. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4772185]


Nanoscience and Nanotechnology