Research interests

  • Application of Machine Learning to molecular design and catalyst discovery
  • Theoretical and experimental chemical space exploration
  • Metal carbenes in catalysis

Research Units in UniSysCat

Awards (selection)

2021 Thieme Chemistry Journals Award 2021
2021 Liebig Fellowship of the Fond der Chemischen Industrie (FCI)
2018 Postdoctoral fellowship of the German National Academy of Sciences Leopoldina
2012 Fellow of the German National Merit Foundation (Studienstiftung des deutschen Volkes)

Dr. Tobias Gensch
TU Berlin
Department of Chemistry
Institute of Chemistry, Office C2
Straße des 17. Juni 135
10623 Berlin
+49 (0)30 314-29733

Publications (selection)

T. Gensch, G. dos Passos Gomes, P. Friederich, E. Peters, T. Gaudin, R. Pollice, K. Jorner, A. Nigam, M. Lindner-D’Addario, M. S. Sigman, A. Aspuru-Guzik J. Am. Chem. Soc. 2022, 144, 1205–1217. A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis.

T. Gensch, S. R. Smith, T. J. Colacot, Y. Timsina, G. Xu, B. W. Glasspoole, M. S. Sigman ChemRxiv 2021, Design and Application of a Screening Set for Monophosphine Ligands in Metal Catalysis.

W. L. Williams, L. Zeng, T. Gensch, M. S. Sigman, A. G. Doyle, E. V. Anslyn ACS Cent. Sci. 2021, 7, 1622–1637. The Evolution of Data-Driven Modeling in Organic Chemistry.

S. H. Newman-Stonebraker, S. R. Smith, J. E. Borowski, E. Peters, T. Gensch, H. C. Johnson, M. S. Sigman, A. G. Doyle Science 2021, 374, 301–308. Univariate classification of phosphine ligation state and reactivity in cross-coupling catalysis.

M. Christensen, L. P. E. Yunker, F. Adedeji, F. Häse, L. M. Roch, T. Gensch, G. dos Passos Gomes, T. Zepel, M. S. Sigman, A. Aspuru-Guzik, J. E. Hein Commun. Chem. 2021, 4, 112. Data-Science driven autonomous process optimization.

J. Miró, T. Gensch, M. Ellwart, S.-J. Han, H.-H. Lin, M. S. Sigman, F. D. Toste J. Am. Chem. Soc. 2020, 142, 6390–6399. Enantioselective Allenoate-Claisen Rearrangement using Chiral Phosphate Catalysts.

S. Zhao, T. Gensch, B. Murray, Z. L. Niemeyer, M. S. Sigman, M. R. Biscoe Science 2018, 362, 670–674. Enantiodivergent Pd-catalyzed C–C bond formation enabled through ligand parameterization.

T. Gensch, R. Thoran, N. Richter, H.-J. Knölker Chem. Eur. J. 2017, 23, 15116–15123. Reductive Eliminations from Diarylpalladium(II) Complexes – A Combined Experimental and Computational Investigation.

T. Gensch, M. Teders, F. Glorius J. Org. Chem. 2017, 82, 9154–9159. Approach to Comparing the Functional Group Tolerance of Reactions.

T. Gensch, M. N. Hopkinson, F. Glorius, J. Wencel-Delord Chem. Soc. Rev. 2016, 45, 2900–2936.
Mild metal-catalyzed C–H activation: examples and concepts.