Kavli Affiliate: Salman Habib
| First 5 Authors: Matthew Otten, Byeol Kang, Dmitry Fedorov, Anouar Benali, Salman Habib
| Summary:
As quantum hardware continues to improve, more and more application
scientists have entered the field of quantum computing. However, even with the
rapid improvements in the last few years, quantum devices, especially for
quantum chemistry applications, still struggle to perform calculations that
classical computers could not calculate. In lieu of being able to perform
specific calculations, it is important have a systematic way of estimating the
resources necessary to tackle specific problems. Standard arguments about
computational complexity provide hope that quantum computers will be useful for
problems in quantum chemistry but obscure the true impact of many algorithmic
overheads. These overheads will ultimately determine the precise point when
quantum computers will perform better than classical computers. We have
developed QREChem to provide logical resource estimates for ground state energy
estimation in quantum chemistry through a Trotter-based quantum phase
estimation approach. QREChem provides resource estimates which include the
specific overheads inherent to problems in quantum chemistry by including
heuristic estimates of the number of Trotter steps and number of necessary
ancilla, allowing for more accurate estimates of the total number of gates. We
utilize QREChem to provide logical resource estimates for a variety of small
molecules in various basis sets, obtaining estimates in the range of
$10^7-10^{15}$ for total number of T gates. We also determine estimates for the
FeMoco molecule and compare all estimates to other resource estimation tools.
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