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Bulletin of the American Physical Society

Simulating chemical energies to high precision with fully-scalable quantum algorithms on superconducting qubits

P. J. J. O’Malley, Ryan Babbush, Ian Kivlichan, Jonathan Romero, Jarrod R. McClean, Andrew Tranter, R. Barends, J. Kelly, Yu Chen, Zijun Chen, Evan R. Jeffrey, Austin G. Fowler, A. Megrant, J. Mutus, Charles Neill, Christopher Quintana, P. Roushan, D. Sank, A. Vainsencher, J. Wenner, T. White, Peter J. Love, Alán Aspuru‐Guzik, Hartmut Neven, John M. Martinis

Published Mar 14, 2016• 0 citations
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Open quantum system approaches are widely used in the description of physical, chemical and biological systems. A famous example is electronic excitation transfer in the initial stage of photosynthesis, where harvested energy is transferred with remarkably high efficiency to a reaction center. This transport is affected by the motion of a structured vibrational environment, which makes simulations on a classical computer very demanding. Here we propose an analog quantum simulator of complex open system dynamics with a precisely engineered quantum environment. Our setup is based on superconducting circuits, a well established technology. As an example, we demonstrate that it is feasible to simulate exciton transport in the Fenna–Matthews–Olson photosynthetic complex. Our approach allows for a controllable single-molecule simulation and the investigation of energy transfer pathways as well as non-Markovian noise-correlation effects.
We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation.We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen using two distinct quantum algorithms.First, we experimentally execute the unitary coupled cluster method using the variational quantum eigensolver.Our efficient implementation predicts the correct dissociation energy to within chemical accuracy of the numerically exact result.Second, we experimentally demonstrate the canonical quantum algorithm for chemistry, which consists of Trotterization and quantum phase estimation.We compare the experimental performance of these approaches to show clear evidence that the variational quantum eigensolver is robust to certain errors.This error tolerance inspires hope that variational quantum simulations of classically intractable molecules may be viable in the near future.
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