Designing mechanically tough graphene oxide materials using deep reinforcement learning

Abstract Graphene oxide (GO) is playing an increasing role in many technologies. However, it remains unanswered how to strategically distribute the functional groups to further enhance performance. We utilize deep reinforcement learning (RL) to design mechanically tough GOs. The design task is formu...

Full description

Bibliographic Details
Main Authors: Bowen Zheng, Zeyu Zheng, Grace X. Gu
Format: Article
Language:English
Published: Nature Portfolio 2022-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-022-00919-z