Hydrogen storage in MOFs: Machine learning for finding a needle in a haystack.

Glasby, Lawson T; Moghadam, Peyman Z · Patterns (N Y) · 2021

basic_science · Level V

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Abstract

In recent years, machine learning (ML) has grown exponentially within the field of structure property predictions in materials science. In this issue of <i>Patterns</i>, Ahmed and Siegel scrutinize several redeveloped ML techniques for systematic investigations of over 900,000 metal-organic framework (MOF) structures, taken from 19 databases, to discover new, potentially record-breaking, hydrogen-storage materials.