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The simulated annealing algorithm that minimizes a cost function, which indicates the degree of matching between the force field (FF) and density-functional theory (DFT).

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Simulated Annealing

Reference

If any code is found useful in this repository, please read the research article at https://pubs.acs.org/doi/10.1021/acs.jpcc.7b07861 and cite:

Liu, S.-H.; Fichthorn, K. A. Interaction of Alkylamines with Cu Surfaces: A Metal−Organic Many-Body Force Field. J. Phys. Chem. C 2017, 121, 22531-22541.

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The simulated annealing algorithm that minimizes a cost function, which indicates the degree of matching between the force field (FF) and density-functional theory (DFT).

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density-functional-theory force-field simulated-annealing cost-function

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