Systematic approach for modeling reaction networks involving equilibrium and kinetically-limited reaction steps. - Olga Walz; Caroline Marks; Jörn Viell; Alexander Mitsos (Comput. Chem. Eng., 2017)

Bounded-error optimal experimental design via global solution of constrained min-max program. - Olga Walz; Hatim Djelassi; Adrian Caspari; Alexander Mitsos (Comput. Chem. Eng., 2018)

CarAT: Carbon Atom Tracing across Industrial Chemical Value Chains via Chemistry Language Models. - Emma Pajak; David Walz; Olga Walz; Laura Marie Helleckes; Klaus Hellgardt; Antonio del Rio-Chanona (CoRR, 2025)