MDTS: automatic complex materials design using Monte Carlo tree search

Complex materials design is often represented as a black-box combinatorial optimization problem. In this paper, we present a novel python library called MDTS (Materials Design using Tree Search). Our algorithm employs a Monte Carlo tree search approach, which has shown exceptional performance in com...

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Bibliographic Details

Published in:	Science and Technology of Advanced Materials
Main Authors:	Thaer M. Dieb, Shenghong Ju, Kazuki Yoshizoe, Zhufeng Hou, Junichiro Shiomi, Koji Tsuda
Format:	Article
Language:	English
Published:	Taylor & Francis Group 2017-12-01
Subjects:	Materials informatics Materials design Monte Carlo tree search Si-Ge alloy interfacial structure Python library
Online Access:	http://dx.doi.org/10.1080/14686996.2017.1344083