3 papers
cond-mat.mtrl-sci2026
Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der Waals interactions
Yuji Ikeda, Axel Forslund, Pranav Kumar +4
Machine-learning interatomic potentials (MLIPs) enable large-scale atomistic simulations at moderate computational cost while retaining ab initio accuracy. MLIPs trained on coupled…
cs.GR2025
A Design Space for Visualization Transitions of 3D Spatial Data in Hybrid AR-Desktop Environments
Yucheng Lu, Tobias Rau, Benjamin Lee +4
We present a design space for animated transitions of the appearance of 3D spatial datasets in a hybrid Augmented Reality (AR)-desktop context. Such hybrid interfaces combine both…
cond-mat.mtrl-sci2024
The spin-phonon relaxation mechanism of single-molecule magnets in the presence of strong exchange coupling
Sourav Mondal, Julia Netz, David Hunger +5
Magnetic relaxation in coordination compounds is largely dominated by the interaction of the spin with phonons. Large zero-field splitting and exchange coupling values have been em…