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2025	Beyond predefined ligand libraries: a genetic algorithm approach for de novo discovery of catalysts for the Suzuki coupling reactions PeerJ Physical Chemistry Julius Seumer, Jan H. Jensen
2025	AI Approaches to Homogeneous Catalysis with Transition Metal Complexes ACS Catalysis Lucía Morán-González, Arron L. Burnage, Ainara Nova, David Balcells
2025	SMILES all around: structure to SMILES conversion for transition metal complexes Journal of Cheminformatics Maria H. Rasmussen, Magnus Strandgaard, Julius Seumer, Laura K. Hemmingsen, Angelo Frei, David Balcells, Jan H. Jensen
2024	OM-Diff: inverse-design of organometallic catalysts with guided equivariant denoising diffusion Digital Discovery François Cornet, Bardi Benediktsson, Bjarke Hastrup, Mikkel N. Schmidt, Arghya Bhowmik
2024	Discovery of molybdenum based nitrogen fixation catalysts with genetic algorithms Chemical Science Magnus Strandgaard, Julius Seumer, Jan H. Jensen
2024	Enabling Automation of de Novo Catalyst Design: An Experimentally Validated, Multifactor Design Metric for Olefin Metathesis ACS Catalysis Jonas B. Ekeli, Marco Foscato, Christian O. Blanco, Giovanni Occhipinti, Deryn E. Fogg, Vidar R. Jensen