75 citations · 424 across the 18 of their papers we have counts for
Showing 2021Show all
2 papers · 1 filter
cond-mat.supr-con2021★ 1 cited
Active learning and element embedding approach in neural networks for infinite-layer versus perovskite oxides
Armin Sahinovic, Benjamin Geisler
Combining density functional theory simulations and active learning of neural networks, we explore formation energies of oxygen vacancy layers, lattice parameters, and their correl…
cond-mat.supr-con2021★ 30 cited
Correlated interface electron gas in infinite-layer nickelate versus cuprate films on SrTiO(001)
Benjamin Geisler, Rossitza Pentcheva
Based on first-principles calculations including a Coulomb repulsion term, we identify trends in the electronic reconstruction of NiO/SrTiO(001) ( Pr, La) and CuO…