Hyper-REBO

Reactive Empirical Bond-Order (REBO) potential is a many-body expression optimized for modeling covalently bonded materials, such as carbon and silicon, in large-scale atomistic simulations

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Archive Version 1.0
Published on 21 May 2007 All versions

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Abstract

Second-generation reactive empirical bond order(REBO)potential energy expression for hydrocarbons

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Researchers should cite this work as follows:

  • (2016), "Hyper-REBO," http://nanohub.org/resources/hyperrebo.

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