O Anatole von Lilienfeld

6PUBLICATIONS
10CO-AUTHORS
Computational chemistryStatistical mechanics in chemistryTheoretical quantum chemistryLasers and quantum electronics
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Publications (6)

|Aug 15, 2021
Toward the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant space.

Stefan Heinen, Guido Falk von Rudorff, O Anatole von Lilienfeld

|May 04, 2021
Machine learning meets chemical physics.

Michele Ceriotti, Cecilia Clementi, O Anatole von Lilienfeld

|Apr 09, 2021
Machine learning of free energies in chemical compound space using ensemble representations: Reaching experimental uncertainty for solvation.

Jan Weinreich, Nicholas J Browning, O Anatole von Lilienfeld

|Oct 22, 2020
Effects of perturbation order and basis set on alchemical predictions.

Giorgio Domenichini, Guido Falk von Rudorff, O Anatole von Lilienfeld

|Feb 03, 2020
FCHL revisited: Faster and more accurate quantum machine learning.

Anders S Christensen, Lars A Bratholm, Felix A Faber

|Feb 17, 2019
Operators in quantum machine learning: Response properties in chemical space.

Anders S Christensen, Felix A Faber, O Anatole von Lilienfeld

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