Simulating chemistry using quantum computers

Kassal, Ivan, Whitfield, James D., Perdomo-Ortiz, Alejandro, Yung, Man-Hong and Aspuru-Guzik, Alan (2011) Simulating chemistry using quantum computers. Annual Review of Physical Chemistry, 62 185-207. doi:10.1146/annurev-physchem-032210-103512

Author Kassal, Ivan
Whitfield, James D.
Perdomo-Ortiz, Alejandro
Yung, Man-Hong
Aspuru-Guzik, Alan
Title Simulating chemistry using quantum computers
Journal name Annual Review of Physical Chemistry   Check publisher's open access policy
ISSN 0066-426X
ISBN 9780824310622
Publication date 2011-05-01
Year available 2011
Sub-type Critical review of research, literature review, critical commentary
DOI 10.1146/annurev-physchem-032210-103512
Open Access Status Not yet assessed
Volume 62
Start page 185
End page 207
Total pages 23
Place of publication Palo Alto, CA, United States
Publisher Annual Reviews
Language eng
Abstract The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quan- tum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been ap- plied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.
Keyword Quantum computation
Quantum algorithms
Chemical dynamics
Electronic structure
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ
Additional Notes Published online as a Review in Advance on 13 December 2010

Document type: Journal Article
Sub-type: Critical review of research, literature review, critical commentary
Collection: School of Mathematics and Physics
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Citation counts: TR Web of Science Citation Count  Cited 97 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 102 times in Scopus Article | Citations
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