Learning Rules for Materials Properties and Functions

2021/04/03 by Boley, Mario, Scheffler, Matthias
#Computational Physics (physics.comp-ph) #Data Analysis #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Statistics and Probability (physics.data-an)

paper · doi:10.48550/arxiv.2104.01352

Abstract

In materials science and engineering, one is typically searching for materials that exhibit exceptional performance for a certain function, and the number of these materials is extremely small. Thus, statistically speaking, we are interested in the identification of *rare phenomena*, and the scientific discovery typically resembles the proverbial hunt for the needle in a haystack.

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