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Efficient quantum computation of molecular forces and other energy gradients
Thomas E. O'Brien, Michael Streif, Nicholas C. Rubin +12
While most work on the quantum simulation of chemistry has focused on computing energy surfaces, a similarly important application requiring subtly different algorithms is the comp…
Observing ground-state properties of the Fermi-Hubbard model using a scalable algorithm on a quantum computer
Stasja Stanisic, Jan Lukas Bosse, Filippo Maria Gambetta +5
The famous, yet unsolved, Fermi-Hubbard model for strongly-correlated electronic systems is a prominent target for quantum computers. However, accurately representing the Fermi-Hub…
Software mitigation of coherent two-qubit gate errors
Lingling Lao, Alexander Korotkov, Zhang Jiang +3
Two-qubit gates are important components of quantum computing. However, unwanted interactions between qubits (so-called parasitic gates) can be particularly problematic and degrade…
Performance comparison of optimization methods on variational quantum algorithms
Xavier Bonet-Monroig, Hao Wang, Diederick Vermetten +5
Variational quantum algorithms (VQAs) offer a promising path toward using near-term quantum hardware for applications in academic and industrial research. These algorithms aim to f…
Nearly Optimal Quantum Algorithm for Estimating Multiple Expectation Values
William J. Huggins, Kianna Wan, Jarrod McClean +3
Many quantum algorithms involve the evaluation of expectation values. Optimal strategies for estimating a single expectation value are known, requiring a number of state preparatio…
Quantum computation of molecular structure using data from challenging-to-classically-simulate nuclear magnetic resonance experiments
Thomas E. O'Brien, Lev B. Ioffe, Yuan Su +4
We propose a quantum algorithm for inferring the molecular nuclear spin Hamiltonian from time-resolved measurements of spin-spin correlators, which can be obtained via nuclear magn…