3 papers
cond-mat.mtrl-sci2026
Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level Accuracy
Sita Schönbauer, Johanna P. Carbone, Fredrik V. Eriksson +2
We investigate Machine-Learned Force Fields (MLFFs) trained on approximate Density Functional Theory (DFT) and Coupled Cluster (CC) level potential energy surfaces for the carbon d…
cond-mat.mtrl-sci2026
Polaron-mediated anisotropic exchange in 2D magnets
Johanna P. Carbone, Jakob Baumsteiger, Cesare Franchini
Two-dimensional (2D) magnets offer a rich platform for exploring emergent spin phenomena due to their unique and diverse magnetic properties. Beyond intrinsic magnetism, external m…
cond-mat.mes-hall2024
Magnetic anisotropy of atoms on a WSe monolayer: a DFT+U study
Johanna P. Carbone, Gustav Bihlmayer, Stefan Blügel
Inspired by recent advancements in the field of single-atom magnets, particularly those involving rare-earth (RE) elements, we present a theoretical exploration employing DFT+ c…