Concepedia

O. Anatole von Lilienfeld

OA

Statistics

Publications

100

Citations

15.6K

H-Index

52

Active since

2004

Affiliations

University of Basel(Current)

Argonne National Laboratory

University of Vienna

Technische Universität Berlin

University of Toronto

O. Anatole von Lilienfeld is an author at University of Basel specializing in natural sciences, chemistry, and theoretical chemistry.

ORCID

Publications per year

2004–2025

100

Publications

100

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Matthias Rupp, Alexandre Tkatchenko, Klaus‐Robert Müller et al. · Physical Review Letters · 2012 · 2.4K citations · Full text

, , +16

Quantum chemistry structures and properties of 134 kilo molecules

Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp et al. · Scientific Data · 2014 · 2K citations · Full text

, , +17

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp et al. · Journal of Chemical Theory and Computation · 2015 · 883 citations

, , +17

Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space

Katja Hansen, Franziska Biegler, Raghunathan Ramakrishnan et al. · The Journal of Physical Chemistry Letters · 2015 · 856 citations · Full text

, , +17

Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error

Felix A. Faber, Luke A. D. Hutchison, Bing Huang et al. · Journal of Chemical Theory and Computation · 2017 · 686 citations

, , +17

1–5 of 100