- Frank Carlton Arute
- Kunal Arya
- Ryan Babbush
- Dave Bacon
- Joseph Bardin
- Rami Barends
- Sergio Boixo
- Michael Blythe Broughton
- Bob Benjamin Buckley
- David A Buell
- Brian Burkett
- Nicholas Bushnell
- Yu Chen
- Jimmy Chen
- Benjamin Chiaro
- Roberto Collins
- William Courtney
- Sean Demura
- Andrew Dunsworth
- Edward Farhi
- Austin Fowler
- Brooks Riley Foxen
- Craig Michael Gidney
- Marissa Giustina
- Rob Graff
- Steve Habegger
- Matthew P Harrigan
- Alan Ho
- Sabrina Hong
- Trent Huang
- William J. Huggins
- Lev Ioffe
- Sergei Isakov
- Evan Jeffrey
- Zhang Jiang
- Cody Jones
- Dvir Kafri
- Kostyantyn Kechedzhi
- Julian Kelly
- Seon Kim
- Paul Klimov
- Alexander Korotkov
- Fedor Kostritsa
- Dave Landhuis
- Pavel Laptev
- Mike Lindmark
- Erik Lucero
- Orion Martin
- John Martinis
- Jarrod Ryan McClean
- Matthew McEwen
- Anthony Megrant
- Xiao Mi
- Masoud Mohseni
- Wojtek Mruczkiewicz
- Josh Mutus
- Ofer Naaman
- Matthew Neeley
- Charles Neill
- Hartmut Neven
- Murphy Yuezhen Niu
- Thomas E O'Brien
- Eric Ostby
- Andre Gregory Petukhov
- Harry Putterman
- Chris Quintana
- Pedram Roushan
- Nicholas Rubin
- Daniel Sank
- Kevin Satzinger
- Vadim Smelyanskiy
- Doug Strain
- Kevin Jeffery Sung
- Marco Szalay
- Tyler Y. Takeshita
- Amit Vainsencher
- Ted White
- Nathan Wiebe
- Jamie Yao
- Ping Yeh
- Adam Zalcman
Abstract
As the search continues for useful applications of noisy intermediate scale quantum devices, variational simulations of fermionic systems remain one of the most promising directions. Here, we perform a series of quantum simulations of chemistry which involve twice the number of qubits and more than ten times the number of gates as the largest prior experiments. We model the binding energy of ${\rm H}6$, ${\rm H}_8$, ${\rm H}{10}$ and ${\rm H}_{12}$ chains as well as the isomerization of diazene. We also demonstrate error-mitigation strategies based on $N$-representability which dramatically improve the effective fidelity of our experiments. Our parameterized ansatz circuits realize the Givens rotation approach to free fermion evolution, which we variationally optimize to prepare the Hartree-Fock wavefunction. This ubiquitous algorithmic primitive corresponds to a rotation of the orbital basis and is required by many proposals for correlated simulations of molecules and Hubbard models. Because free fermion evolutions are classically tractable to simulate, yet still generate highly entangled states over the computational basis, we use these experiments to benchmark the performance of our hardware while establishing a foundation for scaling up more complex correlated quantum simulations of chemistry.
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