A multiobjective closed-loop means against self sufficient discovery of electrocatalysts for nitrogen relief

A multiobjective closed-loop means against self sufficient discovery of electrocatalysts for nitrogen relief

Digital Discovery, 2024, Advance Article
DOI: 10.1039/D3DD00244F, Paper
Open Access
&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lance Kavalsky, Vinay I. Hegde, Bryce Meredig, Venkatasubramanian Viswanathan
We propose a multiobjective scoring scheme toward closed-loop computational discovery of electrocatalysts. To demonstrate, we autonomously search over single-atom alloys for active, stable, and cost-effective systems for nitrogen reduction.
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