DOI: 10.1063/1.1527919. Quantum path minimization: An efficient method for global optimization

Quantum path minimization: An efficient method for global optimization

10.1063/1.1527919

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A new unbiased global optimization approach is proposed, based on quantum staging path integral Monte Carlo sampling and local minimization of individual imaginary time slices. This algorithm uses the quantum tunneling effect to speed up the crossing of energy barriers. This method differs in important ways from previous work on quantum annealing and is able to find all the global minima of Lennard-Jones clusters of size up to N=100, except for N=76, 77, and 98. The comparison between this new algorithm and several other classes of algorithms is presented.

Bibliography

Liu, P., & Berne, B. J. (2003). Quantum path minimization: An efficient method for global optimization. The Journal of Chemical Physics, 118(7), 2999â3005.

Authors 2

Pu Liu (first)
B. J. Berne (additional)

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Dates

Type	When
Created	22 years, 6 months ago (Feb. 10, 2003, 11:22 a.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 3:39 p.m.)
Indexed	1 year, 6 months ago (Feb. 7, 2024, 4:12 p.m.)
Issued	22 years, 6 months ago (Feb. 15, 2003)
Published	22 years, 6 months ago (Feb. 15, 2003)
Published Print	22 years, 6 months ago (Feb. 15, 2003)

Funders 0

None

BibTeX

@article{Liu_2003, title={Quantum path minimization: An efficient method for global optimization}, volume={118}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1527919}, DOI={10.1063/1.1527919}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Liu, Pu and Berne, B. J.}, year={2003}, month=feb, pages={2999–3005} }

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