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Energy Landscapes for Digital Alchemy

cond-mat.soft · 2019-06-25 · unverdicted · novelty 6.0

Energy landscape exploration with potential parameters as degrees of freedom shows that lowest-energy minima are readily located, minima concentrate in particular regions, and the alchemical landscape is more frustrated than fixed-potential versions for small clusters.

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  • Energy Landscapes for Digital Alchemy cond-mat.soft · 2019-06-25 · unverdicted · none · ref 29

    Energy landscape exploration with potential parameters as degrees of freedom shows that lowest-energy minima are readily located, minima concentrate in particular regions, and the alchemical landscape is more frustrated than fixed-potential versions for small clusters.