Bias free multiobjective active learning for materials design and discovery

Identifying optimal materials in multiobjective optimization problems represents a challenge for new materials design approaches. Here the authors develop an active-learning algorithm to optimize the Pareto-optimal solutions successfully applied to the in silico polymer design for a dispersant-based...

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Bibliographic Details
Main Authors: Kevin Maik Jablonka, Giriprasad Melpatti Jothiappan, Shefang Wang, Berend Smit, Brian Yoo
Format: Article
Language:English
Published: Nature Publishing Group 2021-04-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-021-22437-0

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