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and O. Anatole von Lilienfeld — most-cited papers & profile · AI for Science
← authors
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overview
and O. Anatole von Lilienfeld
5
papers ·
8
citations
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
Evolutionary Monte Carlo of QM properties in chemical space: Electrolyte design
2023 · 5 citations
Adaptive hybrid density functionals
2024 · 2 citations
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning
2017 · 1 citations
Machine learning the computational cost of quantum chemistry
2019
Towards the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant space
2020
Top co-authors
Guido Falk von Rudorff
· 3
Stefan Heinen
· 3
Alastair James Arthur Price
· 1
Alexandre Tkatchenko
· 1
Daniel Jose Arismendi Arrieta
· 1
Danish Khan
· 1
Jan Weinreich
· 1
Kersti Hermansson
· 1
Konstantin Karandashev
· 1
Maximilian L. Ach
· 1
Max Schwilk
· 1
Robert A. DiStasio Jr
· 1
Topics
Chemistry
Materials
Physics ML
Drug Discovery