7 citations · 9 across the 3 of their papers we have counts for
3 papers
Topological origin of peak splitting in the structure factor of liquid water
Zoé Faure Beaulieu, Volker L. Deringer, Fausto Martelli
The splitting of the principal peak in the structure factor of liquid water is commonly interpreted as evidence of a competition between two distinct local environments. Here, we s…
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…
Synthetic data enable experiments in atomistic machine learning
John L. A. Gardner, Zoé Faure Beaulieu, Volker L. Deringer
Machine-learning models are increasingly used to predict properties of atoms in chemical systems. There have been major advances in developing descriptors and regression frameworks…