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Authors
Lobjakas, Wiljar https://orcid.org/0009-0007-5855-4355
Clausen, Christian M. https://orcid.org/0000-0003-1207-5264
Nerut, Jaak https://orcid.org/0000-0001-9153-4478
Rossmeisl, Jan https://orcid.org/0000-0001-7749-6567
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Funding
Funding for this research was provided by:
Danish National Research Foundation Center for High-Entropy Alloy Catalysis (DNRF-149)
Estonian Research Council (Tem-TA81)
Estonian Research Council (EAG273)
Estonian Ministry of Education and Research (TK210)
Copenhagen University
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Article History
Received: 10 February 2025
Accepted: 30 June 2025
First Online: 30 July 2025
Declarations
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: The authors declare that they have no competing interests that would damage the integrity of this study. The authors of this study were supported by the Estonian Research Council (Proof-of-Concept Grant EAG273, Tem-TA81), the Estonian Ministry of Education and Research (Center of Excellence TK210), and the Danish National Research Foundation Center for High-Entropy Alloy Catalysis (CHEAC) DNRF-149.
: Computational details regarding the DFT calculations. Details on the training, validation, and test sets, as well as the learning curve and parity plot related to the fine-tuned EqV2-31 M-IS2RE model. Also includes the calculated strain responses for *OH and *O on binary Pt-alloys.
