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Accurate and efficient machine learning models for predicting hydrogen evolution reaction catalysts based on structural and electronic feature engineering in alloys

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Predictive materials design of high-performance alloy electrocatalysts is a grand challenge in hydrogen production via the water electrolysis. The vast combinatorial space of element substitutions in alloy electrocatalysts offers a... Click to show full abstract

Predictive materials design of high-performance alloy electrocatalysts is a grand challenge in hydrogen production via the water electrolysis. The vast combinatorial space of element substitutions in alloy electrocatalysts offers a...

Keywords: machine learning; efficient machine; learning models; accurate efficient; predicting hydrogen; models predicting

Journal Title: Nanoscale
Year Published: 2023

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