Voronoi‐Based Similarity Distances between Arbitrary Crystal Lattices

MM Mosca, V Kurlin - Crystal Research and Technology, 2020 - Wiley Online Library
This paper develops a new continuous approach to a similarity between periodic lattices of
ideal crystals. Quantifying a similarity between crystal structures is needed to substantially …

IRA: A shape matching approach for recognition and comparison of generic atomic patterns

M Gunde, N Salles, A Hémeryck… - Journal of Chemical …, 2021 - ACS Publications
We propose a versatile, parameter-less approach for solving the shape matching problem,
specifically in the context of atomic structures when atomic assignments are not known a …

Topological transformations in metal–organic frameworks: a prospective design route?

EV Alexandrov, Y Yang, L Liang, J Wang, VA Blatov - CrystEngComm, 2022 - pubs.rsc.org
Structural reconstructions in the solid-state can be treated as changes in the organization of
the system of interatomic interactions that are naturally described by the transformations of …