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Li, Xiang https://orcid.org/0000-0001-8338-4123

Jahnke, Till https://orcid.org/0000-0003-1358-5629

Boll, Rebecca https://orcid.org/0000-0001-6286-4064

Han, Jiaqi

Xu, Minkai

Meyer, Michael https://orcid.org/0000-0002-1444-6770

Piancastelli, Maria Novella

Rolles, Daniel

Rudenko, Artem https://orcid.org/0000-0002-9154-8463

Trinter, Florian https://orcid.org/0000-0002-0891-9180

Wolf, Thomas J. A. https://orcid.org/0000-0002-0641-1279

Thayer, Jana B.

Cryan, James P. https://orcid.org/0000-0002-7776-0919

Ermon, Stefano https://orcid.org/0000-0003-0039-2887

Ho, Phay J. https://orcid.org/0000-0001-5214-2180

Funding for this research was provided by:

U.S. Department of Energy (DE-AC02-76SF00515)

U.S. Department of Energy (DE-FG02-86ER13491)

U.S. Department of Energy (DE-AC0276SF00515)

U.S. Department of Energy (DE-AC02-06CH11357)

Deutsche Forschungsgemeinschaft (Project 509471550, Emmy Noether Programme)

Text and Data Mining valid from 2026-03-03

Accepted Manuscript valid from 2026-03-03