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Authors
Mazitov, Arslan https://orcid.org/0000-0002-6549-7324
Chorna, Sofiia
Fraux, Guillaume
Bercx, Marnik
Pizzi, Giovanni https://orcid.org/0000-0002-3583-4377
De, Sandip https://orcid.org/0000-0001-8434-3497
Ceriotti, Michele https://orcid.org/0000-0003-2571-2832
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Funding
Funding for this research was provided by:
BASF
Inspire Potentials Fellowship, EPFL
Platform for Advanced Scientific Computing
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Article History
Received: 10 July 2025
Accepted: 7 October 2025
First Online: 21 November 2025
Competing interests
: GP is an Editorial Board Member for Scientific Data, handling manuscripts for the journal and advising on its policy and operations, but did not manage any component of the review of this paper.
