Articles with "polarizable lennard" as a keyword



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Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential

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Published in 2018 at "Nature Communications"

DOI: 10.1038/s41467-018-03137-8

Abstract: Metallic nanostructures have become popular for applications in therapeutics, catalysts, imaging, and gene delivery. Molecular dynamics simulations are gaining influence to predict nanostructure assembly and performance; however, instantaneous polarization effects due to induced charges in… read more here.

Keywords: polarizable lennard; jones potential; charges metal; lennard jones ... See more keywords