29 citations · 31 across the 5 of their papers we have counts for
3 papers · 1 filter
The effect of the A-site cation on the phase transition temperature of metal halide perovskites
Tom Braeckevelt, Sander Vandenhaute, Sven M. J. Rogge +2
A key challenge for the practical application of metal halide perovskites (MHPs) is the instability of the desired perovskite phase relative to the optically non-active phase.…
Orb-v3: atomistic simulation at scale
Benjamin Rhodes, Sander Vandenhaute, Vaidotas Šimkus +4
We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering…
Cluster-based machine learning potentials to describe disordered metal-organic frameworks up to the mesoscale
Pieter Dobbelaere, Sander Vandenhaute, Veronique Van Speybroeck
Metal-organic frameworks (MOFs) are highly interesting and tunable materials. By incorporating spatial defects into their atomic structure, MOFs can be finetuned to exhibit precise…