O Anatole von Lilienfeld

40PUBLICATIONS
66CO-AUTHORS
Ordinary differential equations, difference equations and dynamical systemsDeep learningRadiation and matterComputational chemistryReaction engineering (excl. nuclear reactions)
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Publications (40)

|Oct 22, 2025
Alchemical diastereomers from antisymmetric alchemical perturbations.

O Anatole von Lilienfeld, Giorgio Domenichini

|Oct 01, 2025
Hammett-Inspired Product Baseline for Data-Efficient Δ-ML in Chemical Space.

V Diana Rakotonirina, Marco Bragato, Guido Falk von Rudorff

|Jul 11, 2025
Antisymmetry rules of response properties in certain chemical spaces.

Takafumi Shiraogawa, Simon León Krug, Masahiro Ehara

|Feb 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023.

Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva

|Feb 06, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023.

Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin

|Jan 31, 2025
Adapting hybrid density functionals with machine learning.

Danish Khan, Alastair J A Price, Bing Huang

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Frequent Collaborators

10 joint publications

Guido Falk von Rudorff

4 joint publications

Markus Meuwly

4 joint publications

Simon León Krug

4 joint publications

Silvan Käser