4 papers
Sketch2Simulation: Automating Flowsheet Generation via Multi Agent Large Language Models
Abdullah Bahamdan, Emma Pajak, John D. Hedengren +1
Converting process sketches into executable simulation models remains a major bottleneck in process systems engineering, requiring substantial manual effort and simulator-specific…
A Guide to Bayesian Optimization in Bioprocess Engineering
Maximilian Siska, Emma Pajak, Katrin Rosenthal +3
Bayesian optimization has become widely popular across various experimental sciences due to its favorable attributes: it can handle noisy data, perform well with relatively small d…
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…
Surrogate-Based Optimization Techniques for Process Systems Engineering
Mathias Neufang, Emma Pajak, Damien van de Berg +2
Optimization plays an important role in chemical engineering, impacting cost-effectiveness, resource utilization, product quality, and process sustainability metrics. This chapter…