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Guido Falk von Rudorff

Showing results (1-10 of 33) with videos related to

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The Journal of Chemical Physics|December 16, 2021
Arbitrarily accurate quantum alchemyGuido Falk von Rudorff
The Journal of Chemical Physics|November 3, 2025
Intrinsic dimensionality of molecular propertiesAli Banjafar, Guido Falk von Rudorff
The Journal of Physical Chemistry. B|October 3, 2014
Perfluoroalkane force field for lipid membrane environmentsGuido Falk von Rudorff, Tobias Watermann, Daniel Sebastiani
Science Advances|June 17, 2021
Simplifying inverse materials design problems for fixed lattices with alchemical chiralityGuido Falk von Rudorff, O Anatole von Lilienfeld
Journal of Chemical Theory and Computation|December 2, 2025
Representative Random Sampling of Chemical SpaceDiego J Monterrubio-Chanca, Guido Falk von Rudorff
Physical Chemistry Chemical Physics : PCCP|January 22, 2020
Rapid and accurate molecular deprotonation energies from quantum alchemyGuido Falk von Rudorff, O Anatole von Lilienfeld
The Journal of Physical Chemistry. B|October 25, 2019
Atoms in Molecules from Alchemical Perturbation Density Functional TheoryGuido Falk von Rudorff, O Anatole von Lilienfeld
The Journal of Chemical Physics|December 22, 2022
Transition state search and geometry relaxation throughout chemical compound space with quantum machine learningStefan Heinen, Guido Falk von Rudorff, O Anatole von Lilienfeld
Nature Communications|July 23, 2021
Machine learning based energy-free structure predictions of molecules, transition states, and solidsDominik Lemm, Guido Falk von Rudorff, O Anatole von Lilienfeld
The Journal of Chemical Physics|August 15, 2021
Toward the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant spaceStefan Heinen, Guido Falk von Rudorff, O Anatole von Lilienfeld
Pageof 4

Showing results (1-10 of 33) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|December 16, 2021
Arbitrarily accurate quantum alchemyGuido Falk von Rudorff
The Journal of Chemical Physics|November 3, 2025
Intrinsic dimensionality of molecular propertiesAli Banjafar, Guido Falk von Rudorff
The Journal of Physical Chemistry. B|October 3, 2014
Perfluoroalkane force field for lipid membrane environmentsGuido Falk von Rudorff, Tobias Watermann, Daniel Sebastiani
Science Advances|June 17, 2021
Simplifying inverse materials design problems for fixed lattices with alchemical chiralityGuido Falk von Rudorff, O Anatole von Lilienfeld
Journal of Chemical Theory and Computation|December 2, 2025
Representative Random Sampling of Chemical SpaceDiego J Monterrubio-Chanca, Guido Falk von Rudorff
Physical Chemistry Chemical Physics : PCCP|January 22, 2020
Rapid and accurate molecular deprotonation energies from quantum alchemyGuido Falk von Rudorff, O Anatole von Lilienfeld
The Journal of Physical Chemistry. B|October 25, 2019
Atoms in Molecules from Alchemical Perturbation Density Functional TheoryGuido Falk von Rudorff, O Anatole von Lilienfeld
The Journal of Chemical Physics|December 22, 2022
Transition state search and geometry relaxation throughout chemical compound space with quantum machine learningStefan Heinen, Guido Falk von Rudorff, O Anatole von Lilienfeld
Nature Communications|July 23, 2021
Machine learning based energy-free structure predictions of molecules, transition states, and solidsDominik Lemm, Guido Falk von Rudorff, O Anatole von Lilienfeld
The Journal of Chemical Physics|August 15, 2021
Toward the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant spaceStefan Heinen, Guido Falk von Rudorff, O Anatole von Lilienfeld
Pageof 4