4 papers
An LLM-Driven Workflow for Automated Process Control Strategy Generation and Tuning from Dynamic Process Models
Ari Luna Rueda, Eike Cramer, Klaus Hellgardt +1
We present a structured large-language-model-driven workflow for automated multi-variable control design from dynamic process models. The workflow decomposes the design task into c…
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…
Constraint-Guided Symbolic Regression for Data-Efficient Kinetic Model Discovery
Miguel Ãngel 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…
Simplest Mechanism Builder Algorithm (SiMBA): An Automated Microkinetic Model Discovery Tool
Miguel Ãngel de Carvalho Servia, King Kuok, Hii +3
Microkinetic models are key for evaluating industrial processes' efficiency and chemicals' environmental impact. Manual construction of these models is difficult and time-consuming…