O. Anatole von Lilienfeld

Full Professor, University of Toronto

Joined

May 2024

Names

O. Anatole von Lilienfeld (Preferred)

Emails

****@utoronto.ca (Confirmed)

Personal Links

Career & Education History

Full Professor

University of Toronto (utoronto.ca)

2022 – Present

Advisors, Relations & Conflicts

No relations added

Expertise

No areas of expertise listed

Publications

Generalized convolutional many-body distribution functional representations
O. Anatole von Lilienfeld, Danish Khan
- AI4X-AC 2026 Poster
- Readers: Everyone
Atom-in-molecule based quantum machine learning of defect formation energies
Alastair James Arthur Price, O. Anatole von Lilienfeld, Stephen Gregory Dale
- AI4X-AC 2026 Oral
- Readers: Everyone
Adapting hybrid density functionals with machine learning
Danish Khan, Alastair James Arthur Price, Bing Huang, Maximilian L. Ach,, O. Anatole von Lilienfeld
- AI4X 2025 Oral
- Readers: Everyone
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023
Igor Poltavskyi, Mirela Puleva, Anton Charkin-Gorbulin, Grégory Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, Thorben Frank, Stefan Heinen, Bing Huang, Silvan Käser, Adil Kabylda, Danish Khan, Carolin Müller, Alastair James Arthur Price, Kai Riedmiller, Kai Töpfer, Tsz Wai Ko, Markus Meuwly et al. (6 additional authors not shown)
- AI4X 2025 Oral
- Readers: Everyone

Co-Authors

View all 27 co-authors