Adaptive Design of Alloys for CO2 Activation and Methanation via Reinforcement Learning Monte Carlo Tree Search Algorithm

Data-driven machine learning (ML) has earned remarkable achievements in accelerating materials design, while it heavily relies on high-quality data acquisition. In this work, we develop an adaptive design framework for searching for optimal materials starting from zero data and with as few DFT calcu...

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Bibliographic Details

Published in:	The journal of physical chemistry letters Vol. 14; no. 14; p. 3594
Main Authors:	Song, Zhilong, Zhou, Qionghua, Lu, Shuaihua, Dieb, Sae, Ling, Chongyi, Wang, Jinlan
Format:	Journal Article
Language:	English Japanese
Published:	13.04.2023
ISSN:	1948-7185, 1948-7185
Online Access:	Get more information
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