Items where Author is "von Rudorff, Guido Falk"
Number of items: 7. 2021Tapavicza, Enrico and von Rudorff, Guido Falk and De Haan, David O. and Contin, Mario and George, Christian and Riva, Matthieu and von Lilienfeld, O. Anatole. (2021) Elucidating atmospheric brown carbon - Supplanting chemical intuition with exhaustive enumeration and machine learning. Environmental Science and Technology, 55 (12). pp. 8447-8457. Lemm, Dominik and von Rudorff, Guido Falk and von Lilienfeld, O. Anatole. (2021) Machine learning based energy-free structure predictions of molecules, transition states, and solids. Nature Communications, 12 (1). p. 4468. von Rudorff, Guido Falk and von Lilienfeld, O. Anatole. (2021) Simplifying inverse materials design problems for fixed lattices with alchemical chirality. Science Advances, 7 (21). eabf1173. 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. 2020von Rudorff, Guido Falk and von Lilienfeld, O. Anatole. (2020) Rapid and accurate molecular deprotonation energies from quantum alchemy. Physical Chemistry Chemical Physics, 22 (19). 10519 -10525 . 2019von Rudorff, Guido Falk and von Lilienfeld, Anatole. (2019) Atoms in Molecules from Alchemical Perturbation Density Functional Theory. Journal of Physical Chemistry B, 123 (47). pp. 10073-10082. 2018von Rudorff, Guido Falk and von Lilienfeld, O. Anatole. (2018) Alchemical perturbation density functional theory. Chemical physics. pp. 1-6. |
