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

Description/Abstract:

Autonomous material search systems that combine ab initio calculations and Bayesian optimization are very promising for exploring huge ma...

Keyword:

Machine learning, ab-initio , and autonomous materials search

Resource Type:

Article

Author:

Yuma Iwasaki, Hwang Jaekyun, Yuya Sakuraba, Masato Kotsugi, and Yasuhiko Igarashi

Date Uploaded:

07/02/2023

Date Modified:

21/03/2024