Towards quantum chemistry on a quantum computer.

By B. Lanyon, James D. Whitfield, G. Gillett, M. Goggin, M. P. Almeida, Ivan Kassal, Jacob D. Biamonte, Masoud Mohseni, B. Powell, M. Barbieri and 2 more. Nature Chemistry, 2009

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Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.

Subfields: Artificial Intelligence

View Paper: https://www.semanticscholar.org/paper/1fd76f1c37b5d3e6cb3afdfa585393af3bb4bcb4

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Citations in the corpus

Low-Depth Quantum Simulation of Materials (2017, background): “[36] B P Lanyon, J D Whitfield, G G Gillett, M E Goggin, M P Almeida, I Kassal, J D Biamonte, M Mohseni, B J Powell, M Barbieri, A Aspuru-Guzik, and a G White, “Towards quantum chemistry on a quantum computer.”
Low-Disorder Microwave Cavity Lattices for Quantum Simulation with Photons (2012, methodology): “Notable experiments include: a linear optics setup that has been used to help calculate the properties of a hydrogen molecule with up to 20 digits of precision [63] and an experiment in which a two photon entangled pair was use to simulate frustrated valence-bond states by simulating the ground-stat”
Photonic quantum simulators (2012, background): “Recently, Lanyon et al.20 simulated quantum aspects of the hydrogen molecule by using two entangled photons.”
Elucidating reaction mechanisms on quantum computers (2016, methodology): “2× 10(6) for nitrogenase in the 57 orbital basis using the circuits of [9].”
Quantum Simulation (2013, methodology): “, 2009), to calculate the energy spectrum of the hydrogen molecule to 20 bits of precision (Lanyon et al., 2010) and to simulate frustrated spin systems (Ma et al.”
Cloud Quantum Computing of an Atomic Nucleus. (2018, background): “Recently, real-word problems in quantum chemistry and magnetism have been solved via quantum computing using two to six qubits [10–13].”
Quantum simulation of the wavefunction to probe frustrated Heisenberg spin systems (2010, methodology): “crete gate operations and the phase estimation algorithm[10, 23], referred to as a digital quantum simulator[12].”