Preprint
Jul 2026
Reconstructing local environments from concise atomistic representations
This work investigates the inverse problem of recovering atomic structures from local invariant descriptors, and shows that accurate reconstructions can be obtained from remarkably compact descriptors of different correlation orders, each comprising only a few tens of features.
Jigyasa Nigam, T. Phung, Ameya Daigavane et al.
· 1 citation