141 citations · 146 across the 3 of their papers we have counts for
3 papers
Alchemical harmonic approximation based potential for iso-electronic diatomics: Foundational baseline for -machine learning
Simon León Krug, Danish Khan, O. Anatole von Lilienfeld
We introduce the alchemical harmonic approximation (AHA) of the absolute electronic energy for charge-neutral iso-electronic diatomics at fixed interatomic distance . To accou…
Ab initio machine learning in chemical compound space
Bing Huang, O. Anatole von Lilienfeld
Chemical compound space (CCS), the set of all theoretically conceivable combinations of chemical elements and (meta-)stable geometries that make up matter, is colossal. The first p…
Machine learning for many-body physics: The case of the Anderson impurity model
Louis-François Arsenault, Alejandro Lopez-Bezanilla, O. Anatole von Lilienfeld +1
Machine learning methods are applied to finding the Green's function of the Anderson impurity model, a basic model system of quantum many-body condensed-matter physics. Different m…