Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization

Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization

Autonomous material search systems that combine ab initio calculations and Bayesian optimization are very promising for exploring huge material spaces. Setting up an appropriate material search space is necessary for efficient autonomous material search. However, performing the autonomous search wit...

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Bibliographic Details
Main Authors: Yuma Iwasaki, Hwang Jaekyun, Yuya Sakuraba, Masato Kotsugi, Yasuhiko Igarashi
Format: Article
Language:English
Published: Taylor & Francis Group 2022-12-01
Series:Science and Technology of Advanced Materials: Methods
Subjects:
heusler alloy
machine learning
ab initio calculation
half metal
bayesian optimization
Online Access:http://dx.doi.org/10.1080/27660400.2022.2123263

Internet

http://dx.doi.org/10.1080/27660400.2022.2123263

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