Guido Falk von Rudorff
Guido Falk von Rudorff
Department of Physics, University of Vienna
Verified email at univie.ac.at - Homepage
Title
Cited by
Cited by
Year
Dynamic stabilization of metal oxide–water interfaces
ME McBriarty, GF von Rudorff, JE Stubbs, PJ Eng, J Blumberger, ...
Journal of the American Chemical Society 139 (7), 2581-2584, 2017
402017
Fast Interconversion of Hydrogen Bonding at the Hematite (001)–Liquid Water Interface
GF von Rudorff, R Jakobsen, KM Rosso, J Blumberger
The journal of physical chemistry letters 7 (7), 1155-1160, 2016
282016
Cysteine linkages accelerate electron flow through tetra-heme protein STC
X Jiang, Z Futera, ME Ali, F Gajdos, GF von Rudorff, A Carof, M Breuer, ...
Journal of the American Chemical Society 139 (48), 17237-17240, 2017
212017
Hematite (001)-liquid water interface from hybrid density functional-based molecular dynamics
GF von Rudorff, R Jakobsen, KM Rosso, J Blumberger
Journal of Physics. Condensed Matter: an Institute of Physics journal 28 (39 …, 2016
172016
Acidity Constants of the Hematite–Liquid Water Interface from Ab Initio Molecular Dynamics
OR Gittus, GF von Rudorff, KM Rosso, J Blumberger
The journal of physical chemistry letters 9 (18), 5574-5582, 2018
122018
Foraging on the potential energy surface: A swarm intelligence-based optimizer for molecular geometry
C Wehmeyer, G Falk von Rudorff, S Wolf, G Kabbe, D Schärf, TD Kühne, ...
The Journal of chemical physics 137 (19), 194110, 2012
122012
Rapid and accurate molecular deprotonation energies from quantum alchemy
GF von Rudorff, OA von Lilienfeld
Physical Chemistry Chemical Physics 22 (19), 10519-10525, 2020
112020
Atoms in molecules from alchemical perturbation density functional theory
GF von Rudorff, OA von Lilienfeld
The Journal of Physical Chemistry B 123 (47), 10073-10082, 2019
112019
Machine learning the computational cost of quantum chemistry
S Heinen, M Schwilk, GF von Rudorff, OA von Lilienfeld
Machine Learning: Science and Technology 1 (2), 025002, 2020
102020
Alchemical perturbation density functional theory
GF von Rudorff, OA von Lilienfeld
Physical Review Research, 023220, 2020
102020
Perfluoroalkane force field for lipid membrane environments
GF von Rudorff, T Watermann, D Sebastiani
The Journal of Physical Chemistry B 118 (43), 12531-12540, 2014
92014
Data enhanced Hammett-equation: reaction barriers in chemical space
M Bragato, GF von Rudorff, OA von Lilienfeld
Chemical Science 11 (43), 11859-11868, 2020
42020
Improving the performance of hybrid functional-based molecular dynamics simulation through screening of Hartree–Fock exchange forces
GF von Rudorff, R Jakobsen, KM Rosso, J Blumberger
Journal of chemical theory and computation 13 (5), 2178-2184, 2017
42017
Thousands of reactants and transition states for competing E2 and S2 reactions
GF von Rudorff, SN Heinen, M Bragato, OA von Lilienfeld
Machine Learning: Science and Technology 1 (4), 045026, 2020
32020
Conformational space of a polyphilic molecule with a fluorophilic side chain integrated in a DPPC bilayer
GF von Rudorff, T Watermann, XY Guo, D Sebastiani
Journal of computational chemistry 38 (9), 576-583, 2017
32017
Cluster formation of polyphilic molecules solvated in a DPPC bilayer
XY Guo, C Peschel, T Watermann, GF Rudorff, D Sebastiani
Polymers 9 (10), 488, 2017
22017
Efficient implementation and application of the artificial bee colony algorithm to low-dimensional optimization problems
GF von Rudorff, C Wehmeyer, D Sebastiani
Computer Physics Communications 185 (6), 1639-1646, 2014
22014
Quantum based machine learning of competing chemical reaction profiles
S Heinen, GF von Rudorff, OA von Lilienfeld
arXiv preprint arXiv:2009.13429, 2020
12020
Solving the inverse materials design problem with alchemical chirality
GF von Rudorff, OA von Lilienfeld
arXiv preprint arXiv:2008.02784, 2020
12020
Molecular shape as a (useful) bias in chemistry
GF von Rudorff
arXiv preprint arXiv:1904.07035, 2019
12019
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Articles 1–20