作者
Prasanna V Balachandran, Benjamin Kowalski, Alp Sehirlioglu, Turab Lookman
发表日期
2018/4/26
期刊
Nature communications
卷号
9
期号
1
页码范围
1668
出版商
Nature Publishing Group UK
简介
Experimental search for high-temperature ferroelectric perovskites is a challenging task due to the vast chemical space and lack of predictive guidelines. Here, we demonstrate a two-step machine learning approach to guide experiments in search of xBi\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$[ {{\mathrm{Me}}_y' {\mathrm{Me}}_{(1 - y)}'' } ]$$\end{document}O3–(1 − x)PbTiO3-based perovskites with high ferroelectric Curie temperature. These involve classification learning to screen for compositions in the perovskite structures, and regression coupled to active learning to identify promising perovskites for synthesis and feedback. The problem is challenging because the search space is …
引用总数
20182019202020212022202320249264047673813
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