341 citations · 563 across the 5 of their papers we have counts for
Showing 2018Show all
2 papers · 1 filter
physics.chem-ph2018★ 115 cited
Operators in Machine Learning: Response Properties in Chemical Space
Anders S. Christensen, Felix A. Faber, O. Anatole von Lilienfeld
The role of response operators is well established in quantum mechanics. We investigate their use for universal quantum machine learning models of response properties in molecules.…
physics.chem-ph2018★ 102 cited
Guest Editorial: Special Topic on Data-enabled Theoretical Chemistry
Matthias Rupp, O. Anatole von Lilienfeld, Kieron Burke
A survey of the contributions to the Special Topic on Data-enabled Theoretical Chemistry is given, including a glossary of relevant machine learning terms.