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Structure prediction of boron-doped graphene by machine learning

Description/Abstract:

Heteroatom doping has endowed graphene with manifold aspects of material properties and boosted its applications. The atomic structure de...

Keyword:

Materials design and Monte Carlo tree search

Resource Type:

Article

Author:

Hou, Zhufeng, Tsuda, Koji, and Dieb, Thaer M.

Journal:

The Journal of Chemical Physics

Date Uploaded:

02/10/2020

Date Modified:

16/10/2020