Towards quantum chemistry on a quantum computer

Lanyon, B. P., Whitfield, J. D., Gillett, G. G., Goggin, M. E., Almeida, M. P., Kassal, I., Biamonte, J. D., Mohseni, M., Powell, B. J., Barbieri, M., Aspuru-Guzik, A. and White, A. G. (2010) Towards quantum chemistry on a quantum computer. Nature Chemistry, 2 2: 106-111. doi:10.1038/NCHEM.483

Author Lanyon, B. P.
Whitfield, J. D.
Gillett, G. G.
Goggin, M. E.
Almeida, M. P.
Kassal, I.
Biamonte, J. D.
Mohseni, M.
Powell, B. J.
Barbieri, M.
Aspuru-Guzik, A.
White, A. G.
Title Towards quantum chemistry on a quantum computer
Journal name Nature Chemistry   Check publisher's open access policy
ISSN 1755-4330
Publication date 2010-02
Sub-type Article (original research)
DOI 10.1038/NCHEM.483
Open Access Status
Volume 2
Issue 2
Start page 106
End page 111
Total pages 6
Place of publication New York, NY, U.S.A.
Publisher Nature Publishing Group
Collection year 2011
Language eng
Subject C1
970102 Expanding Knowledge in the Physical Sciences
030701 Quantum Chemistry
0206 Quantum Physics
Formatted abstract
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.
© 2010 Macmillan Publishers Limited. All rights reserved.
Keyword Simulations
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Centre for Organic Photonics and Electronics
School of Mathematics and Physics
Official 2011 Collection
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Citation counts: TR Web of Science Citation Count  Cited 152 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 165 times in Scopus Article | Citations
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Created: Sun, 07 Feb 2010, 00:01:33 EST