Markov-Chain Monte-Carlo methods and non-identifiabilities. - Christian Müller; Fabian Weysser; Thomas Mrziglod; Andreas Schuppert (Monte Carlo Methods Appl., 2018)

A neural network assisted Metropolis adjusted Langevin algorithm. - Christian Müller; Holger Diedam; Thomas Mrziglod; Andreas Schuppert (Monte Carlo Methods Appl., 2020)

Completeness and Diversity in Depth-First Proof-Number Search with Applications to Retrosynthesis. - Christopher Franz; Georg Mogk; Thomas Mrziglod; Kevin Schewior (IJCAI, 2022)

HybridML: Open source platform for hybrid modeling. - Kilian Merkelbach; Artur M. Schweidtmann; Younes Müller; Patrick Schwoebel; Adel Mhamdi; Alexander Mitsos; Andreas Schuppert; Thomas Mrziglod; Sebastian Schneckener (Comput. Chem. Eng., 2022)

Neural network input feature selection using structured l2 - norm penalization. - Nathaniel Egwu; Thomas Mrziglod; Andreas Schuppert (Appl. Intell., 2023)

Generating diversity and securing completeness in algorithmic retrosynthesis. - Florian Mrugalla; Christopher Franz; Yannic Alber; Georg Mogk; Martín Villalba; Thomas Mrziglod; Kevin Schewior (J. Cheminformatics, 2025)