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cs.CE2025
CarAT: Carbon Atom Tracing across Industrial Chemical Value Chains via Chemistry Language Models
Emma Pajak, David Walz, Olga Walz +3
The chemical industry is increasingly prioritising sustainability, with a focus on reducing carbon footprints to achieve net zero. By 2026, the Together for Sustainability (TfS) co…
cs.CE2025
Constraint-Guided Symbolic Regression for Data-Efficient Kinetic Model Discovery
Miguel Ángel de Carvalho Servia, Ilya Orson Sandoval, King Kuok +4
The industrialization of catalytic processes hinges on the availability of reliable kinetic models for design, optimization, and control. Traditional mechanistic models demand exte…