Faster quantum chemistry simulation on fault-tolerant quantum computers
Open Access
- 1 November 2012
- journal article
- research article
- Published by IOP Publishing in New Journal of Physics
- Vol. 14 (11), 115023
- https://doi.org/10.1088/1367-2630/14/11/115023
Abstract
Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. We propose methods which substantially improve the performance of a particular form of simulation, ab initio quantum chemistry, on fault-tolerant quantum computers; these methods generalize readily to other quantum simulation problems. Quantum teleportation plays a key role in these improvements and is used extensively as a computing resource. To improve execution time, we examine techniques for constructing arbitrary gates which perform substantially faster than circuits based on the conventional Solovay–Kitaev algorithm (Dawson and Nielsen 2006 Quantum Inform. Comput. 6 81). For a given approximation error , arbitrary single-qubit gates can be produced fault-tolerantly and using a restricted set of gates in time which is O(log ) or O(log log ); with sufficient parallel preparation of ancillas, constant average depth is possible using a method we call programmable ancilla rotations. Moreover, we construct and analyze efficient implementations of first- and second-quantized simulation algorithms using the fault-tolerant arbitrary gates and other techniques, such as implementing various subroutines in constant time. A specific example we analyze is the ground-state energy calculation for lithium hydride.Keywords
This publication has 63 references indexed in Scilit:
- An isotopic-independent highly accurate potential energy surface for CO2 isotopologues and an initial 12C16O2 infrared line listThe Journal of Chemical Physics, 2012
- From computational discovery to experimental characterization of a high hole mobility organic crystalNature Communications, 2011
- Using Quantum Computers for Quantum SimulationEntropy, 2010
- Towards quantum chemistry on a quantum computerNature Chemistry, 2010
- Polynomial-time quantum algorithm for the simulation of chemical dynamicsProceedings of the National Academy of Sciences, 2008
- Chemistry on the computerPhysics Today, 2008
- Simulating lattice gauge theories on a quantum computerPhysical Review A, 2006
- Efficiency of free-energy calculations of spin lattices by spectral quantum algorithmsPhysical Review A, 2003
- Simulating quantum systems on a quantum computerProceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 1998
- Simulating Ising spin glasses on a quantum computerPhysical Review E, 1997