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Data-Driven Materials Discovery from Large Chemistry Spaces
Matter ( IF 18.9 ) Pub Date : 2020-08-05 , DOI: 10.1016/j.matt.2020.07.010
Isao Tanaka

Materials discovery often triggers new technological innovations and is therefore an exciting topic in materials research. In order to search a large chemistry space, however, lengthy trial-and-error testing is required. Recently, a Canadian research team devised a novel representation scheme for perovskite alloys. Combined with machine-learning methods, it enables efficient exploration of a large chemistry space with reasonable accuracy.



中文翻译:

大型化学领域的数据驱动材料发现

材料发现通常会引发新的技术创新,因此是材料研究中令人兴奋的主题。但是,为了搜索较大的化学空间,需要进行长时间的反复试验。最近,加拿大的一个研究小组设计了一种新颖的钙钛矿合金表征方案。结合机器学习方法,它可以合理的精度有效地探索大型化学空间。

更新日期:2020-08-05
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