3 papers
physics.comp-ph2025
Distillation of atomistic foundation models across architectures and chemical domains
John L. A. Gardner, Daniel F. Thomas du Toit, Chiheb Ben Mahmoud +8
Machine-learned interatomic potentials have transformed computational research in the physical sciences. Recent atomistic `foundation' models have changed the field yet again: trai…
cond-mat.mtrl-sci2025
The structure and topology of an amorphous metal-organic framework
Thomas C. Nicholas, Daniel F. Thomas du Toit, Louise A. M. Rosset +3
Amorphous metal-organic frameworks are an important emerging materials class that combine the attractive physical properties of the amorphous state with the versatility of metal-or…
cond-mat.mtrl-sci2024
The pathway to chirality in elemental tellurium
Yuxing Zhou, Stephen R. Elliott, Daniel F. Thomas du Toit +2
Chiral crystals, like chiral molecules, cannot be superimposed onto their mirror images -- a fundamental property that has been linked to interesting physical behavior and exploite…