Items where Author is "Heinen, Stefan"
Number of items: 3. 2021Heinen, Stefan. Quantum Machine Learning Applied to Chemical Reaction Space. 2021, Doctoral Thesis, University of Basel, Faculty of Science. Heinen, Stefan and von Rudorff, Guido Falk and von Lilienfeld, O. Anatole. (2021) Toward the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant space. Journal of Chemical Physics, 155 (6). 064105. 2018Meyer, Benjamin and Sawatlon, Boodsarin and Corminboeuf, Clémence and von Lilienfeld, O. Anatole and Heinen, Stefan. (2018) Machine learning meets volcano plots: Computational discovery of cross-coupling catalysts. Chemical Science, 9 (35). pp. 7069-7077. |
