Document Detail


Experimental study of quantum simulation for quantum chemistry with a nuclear magnetic resonance simulator.
MedLine Citation:
PMID:  22946038     Owner:  NLM     Status:  PubMed-not-MEDLINE    
Abstract/OtherAbstract:
Quantum computers have been proved to be able to mimic quantum systems efficiently in polynomial time. Quantum chemistry problems, such as static molecular energy calculations and dynamical chemical reaction simulations, become very intractable on classical computers with scaling up of the system. Therefore, quantum simulation is a feasible and effective approach to tackle quantum chemistry problems. Proof-of-principle experiments have been implemented on the calculation of the hydrogen molecular energies and one-dimensional chemical isomerization reaction dynamics using nuclear magnetic resonance systems. We conclude that quantum simulation will surpass classical computers for quantum chemistry in the near future.
Authors:
Dawei Lu; Nanyang Xu; Boruo Xu; Zhaokai Li; Hongwei Chen; Xinhua Peng; Ruixue Xu; Jiangfeng Du
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Philosophical transactions. Series A, Mathematical, physical, and engineering sciences     Volume:  370     ISSN:  1364-503X     ISO Abbreviation:  Philos Trans A Math Phys Eng Sci     Publication Date:  2012 Oct 
Date Detail:
Created Date:  2012-09-04     Completed Date:  2012-10-25     Revised Date:  2013-04-24    
Medline Journal Info:
Nlm Unique ID:  101133385     Medline TA:  Philos Trans A Math Phys Eng Sci     Country:  England    
Other Details:
Languages:  eng     Pagination:  4734-47     Citation Subset:  -    
Affiliation:
Hefei National Laboratory for Physical Sciences at Microscale, and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
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