Deep reinforcement learning for inverse inorganic materials design

Abstract A major obstacle to the realization of novel inorganic materials with desirable properties is efficient materials discovery over both the materials property and synthesis spaces. In this work, we propose and compare two novel reinforcement learning (RL) approaches to inverse inorganic oxide...

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Bibliographic Details
Main Authors: Christopher Karpovich, Elton Pan, Elsa A. Olivetti
Format: Article
Language:English
Published: Nature Portfolio 2024-12-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01474-5
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