O. Anatole von Lilienfeld

activity

20182024

most citedFCHL revisited: faster and more accurate quantum machine learning

341 citations · 563 across the 5 of their papers we have counts for

collaborators

Showing 2024Show all

1 paper · 1 filter

physics.chem-ph2024★ 1 cited

Alchemical harmonic approximation based potential for iso-electronic diatomics: Foundational baseline for $Δ$ -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 $d_{0}$ . To accou…

Alchemical harmonic approximation based potential for iso-electronic diatomics: Foundational baseline for Δ-machine learning

Alchemical harmonic approximation based potential for iso-electronic diatomics: Foundational baseline for $Δ$ -machine learning