Title
Improving quantum algorithms for quantum chemistry
Abstract
We present several improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer. First, we modify how Jordan-Wigner transformations are implemented to reduce their cost from linear or logarithmic in the number of orbitals to a constant. Our modification does not require additional ancilla qubits. Then, we demonstrate how many operations can be parallelized, leading to a further linear decrease in the parallel depth of the circuit, at the cost of a small constant factor increase in number of qubits required. Thirdly, we modify the term order in the Trotter-Suzuki decomposition, significantly reducing the error at given Trotter-Suzuki timestep. A final improvement modifies the Hamiltonian to reduce errors introduced by the non-zero Trotter-Suzuki timestep. All of these techniques are validated using numerical simulation and detailed gate counts are given for realistic molecules.
Year
Venue
Keywords
2015
Quantum Information & Computation
quantum physics
Field
DocType
Volume
Hamiltonian (quantum mechanics),Computer simulation,Quantum mechanics,Algorithm,Quantum computer,Atomic orbital,Quantum algorithm,Logarithm,Qubit,Mathematics,Quantum chemistry
Journal
15
Issue
ISSN
Citations 
1-2
1533-7146
11
PageRank 
References 
Authors
1.08
5
4
Name
Order
Citations
PageRank
Matthew B. Hastings1498.06
Dave Wecker2576.02
Bela Bauer3465.00
Matthias Troyer412019.62